In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2006 | 29 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.05 | 1.9 | -15.15 | 0 | 8 | 0 | 105 | 394.383 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.05 | 1.91 | -15.16 | 0 | 8 | 0 | 105 | 394.383 | 6 | ↓ |
Popular Name: (1R)-2-(3-methoxypropyl)-7-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-methoxypropyl)-7-methy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.48 | 10.84 | -13.72 | 0 | 8 | 0 | 106 | 408.41 | 6 | ↓ |
Popular Name: (1S)-2-(3-methoxypropyl)-7-methyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(3-methoxypropyl)-7-methy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.48 | 10.43 | -14.15 | 0 | 8 | 0 | 106 | 408.41 | 6 | ↓ |
Popular Name: (1R)-2-(3-ethoxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-ethoxypropyl)-1-(4-nit…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.43 | 11.11 | -13.87 | 0 | 8 | 0 | 106 | 408.41 | 7 | ↓ |
Popular Name: (1S)-2-(3-ethoxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(3-ethoxypropyl)-1-(4-nit…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.43 | 10.73 | -15.11 | 0 | 8 | 0 | 106 | 408.41 | 7 | ↓ |
Popular Name: (1R)-2-(3-hydroxypropyl)-5,7-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-hydroxypropyl)-5,7-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.24 | 9.14 | -14.44 | 1 | 8 | 0 | 117 | 408.41 | 5 | ↓ |
Popular Name: (1S)-2-(3-hydroxypropyl)-5,7-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(3-hydroxypropyl)-5,7-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.24 | 8.72 | -15 | 1 | 8 | 0 | 117 | 408.41 | 5 | ↓ |
Popular Name: (1R)-2-(3-methoxypropyl)-5,7-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-methoxypropyl)-5,7-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.85 | 11.54 | -13.59 | 0 | 8 | 0 | 106 | 422.437 | 6 | ↓ |
Popular Name: (1S)-2-(3-methoxypropyl)-5,7-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(3-methoxypropyl)-5,7-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.85 | 11.12 | -14.1 | 0 | 8 | 0 | 106 | 422.437 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.59 | 13.25 | -13.32 | 0 | 8 | 0 | 106 | 450.491 | 7 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.59 | 12.83 | -13.95 | 0 | 8 | 0 | 106 | 450.491 | 7 | ↓ |
Popular Name: (1R)-7-ethyl-2-(3-methoxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-2-(3-methoxypropyl)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.94 | 11.6 | -13.44 | 0 | 8 | 0 | 106 | 422.437 | 7 | ↓ |
Popular Name: (1S)-7-ethyl-2-(3-methoxypropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-2-(3-methoxypropyl)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.94 | 11.18 | -13.92 | 0 | 8 | 0 | 106 | 422.437 | 7 | ↓ |
Popular Name: (1S)-2-(3-methoxypropyl)-6,8-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(3-methoxypropyl)-6,8-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.85 | 11.5 | -13.43 | 0 | 8 | 0 | 106 | 422.437 | 6 | ↓ |
Popular Name: (1R)-2-(3-methoxypropyl)-6,8-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-methoxypropyl)-6,8-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.85 | 11.1 | -13.96 | 0 | 8 | 0 | 106 | 422.437 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.59 | 13.22 | -13.32 | 0 | 8 | 0 | 106 | 450.491 | 7 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.59 | 12.81 | -13.85 | 0 | 8 | 0 | 106 | 450.491 | 7 | ↓ |
Popular Name: (1S)-2-(3-hydroxypropyl)-6,8-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-(3-hydroxypropyl)-6,8-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.24 | 9.1 | -14.24 | 1 | 8 | 0 | 117 | 408.41 | 5 | ↓ |
Popular Name: (1R)-2-(3-hydroxypropyl)-6,8-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-hydroxypropyl)-6,8-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.24 | 8.7 | -14.88 | 1 | 8 | 0 | 117 | 408.41 | 5 | ↓ |
Popular Name: (1R)-2-(3-methoxypropyl)-5,6-dimethyl-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-(3-methoxypropyl)-5,6-dim…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.85 | 11.42 | -13.75 | 0 | 8 | 0 | 106 | 422.437 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.59 | 13.13 | -13.61 | 0 | 8 | 0 | 106 | 450.491 | 7 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.59 | 12.72 | -14.12 | 0 | 8 | 0 | 106 | 450.491 | 7 | ↓ |