In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2009 | 31 | 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) | 3.50 | 12.81 | -53.16 | 1 | 8 | 1 | 101 | 422.461 | 6 | ↓ |
Popular Name: (1R)-5,7-dimethyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-5,7-dimethyl-1-(3-nitrophen…
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) | 4.45 | 12.42 | -12.47 | 0 | 7 | 0 | 96 | 392.411 | 4 | ↓ |
Popular Name: (1S)-5,7-dimethyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-5,7-dimethyl-1-(3-nitrophen…
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) | 4.45 | 12.04 | -12.26 | 0 | 7 | 0 | 96 | 392.411 | 4 | ↓ |
Popular Name: (1R)-2-butyl-5,7-dimethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-butyl-5,7-dimethyl-1-(3-n…
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) | 5.01 | 13.2 | -12.54 | 0 | 7 | 0 | 96 | 406.438 | 5 | ↓ |
Popular Name: (1S)-2-butyl-5,7-dimethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-butyl-5,7-dimethyl-1-(3-n…
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) | 5.01 | 12.82 | -12.22 | 0 | 7 | 0 | 96 | 406.438 | 5 | ↓ |
Popular Name: (1R)-2-(3-hydroxypropyl)-5,7-dimethyl-1-(3-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) | 3.21 | 9.13 | -15.35 | 1 | 8 | 0 | 117 | 408.41 | 5 | ↓ |
Popular Name: (1S)-2-(3-hydroxypropyl)-5,7-dimethyl-1-(3-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) | 3.21 | 8.71 | -14.26 | 1 | 8 | 0 | 117 | 408.41 | 5 | ↓ |
Popular Name: (1R)-7-ethyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-7-ethyl-1-(3-nitrophenyl)-2…
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) | 4.54 | 12.49 | -12.48 | 0 | 7 | 0 | 96 | 392.411 | 5 | ↓ |
Popular Name: (1S)-7-ethyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-7-ethyl-1-(3-nitrophenyl)-2…
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) | 4.54 | 12.11 | -12.13 | 0 | 7 | 0 | 96 | 392.411 | 5 | ↓ |
Popular Name: (1R)-2-butyl-7-ethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-butyl-7-ethyl-1-(3-nitrop…
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) | 5.10 | 13.27 | -12.45 | 0 | 7 | 0 | 96 | 406.438 | 6 | ↓ |
Popular Name: (1S)-2-butyl-7-ethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-butyl-7-ethyl-1-(3-nitrop…
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) | 5.10 | 12.89 | -12.12 | 0 | 7 | 0 | 96 | 406.438 | 6 | ↓ |
Popular Name: (1R)-5,7-dimethyl-1-(3-nitrophenyl)-2-phenethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-5,7-dimethyl-1-(3-nitrophen…
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) | 5.38 | 15.48 | -13.05 | 0 | 7 | 0 | 96 | 454.482 | 5 | ↓ |
Popular Name: (1S)-5,7-dimethyl-1-(3-nitrophenyl)-2-phenethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-5,7-dimethyl-1-(3-nitrophen…
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) | 5.38 | 15.07 | -12.98 | 0 | 7 | 0 | 96 | 454.482 | 5 | ↓ |
Popular Name: (1R)-5,6-dimethyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-5,6-dimethyl-1-(3-nitrophen…
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) | 4.45 | 12.28 | -12.59 | 0 | 7 | 0 | 96 | 392.411 | 4 | ↓ |
Popular Name: (1S)-5,6-dimethyl-1-(3-nitrophenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-5,6-dimethyl-1-(3-nitrophen…
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) | 4.45 | 11.9 | -12.35 | 0 | 7 | 0 | 96 | 392.411 | 4 | ↓ |
Popular Name: (1R)-2-butyl-5,6-dimethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1R)-2-butyl-5,6-dimethyl-1-(3-n…
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) | 5.01 | 13.06 | -12.63 | 0 | 7 | 0 | 96 | 406.438 | 5 | ↓ |
Popular Name: (1S)-2-butyl-5,6-dimethyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (1S)-2-butyl-5,6-dimethyl-1-(3-n…
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) | 5.01 | 12.68 | -12.33 | 0 | 7 | 0 | 96 | 406.438 | 5 | ↓ |
Popular Name: 3-[(1S)-3,9-diketo-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethyl-ammonium 3-[(1S)-3,9-diketo-1-(3-nitrophe…
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) | 3.82 | 3.53 | -48.26 | 1 | 8 | 1 | 100 | 436.488 | 8 | ↓ |
Popular Name: 3-[(1R)-3,9-diketo-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethyl-ammonium 3-[(1R)-3,9-diketo-1-(3-nitrophe…
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) | 3.82 | 3.43 | -49.34 | 1 | 8 | 1 | 100 | 436.488 | 8 | ↓ |
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) | 3.07 | 3.16 | -52.67 | 1 | 8 | 1 | 100 | 408.434 | 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) | 3.07 | 3.35 | -49.08 | 1 | 8 | 1 | 100 | 408.434 | 6 | ↓ |