In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 37 | Yes |
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) | 5.83 | 13.12 | -12.47 | 0 | 7 | 0 | 78 | 526.029 | 9 | ↓ |
Popular Name: chloro-(4-isobutoxy-3-methoxy-phenyl)-(tetrahydrofuran-2-ylmethyl)BLAHdione chloro-(4-isobutoxy-3-methoxy-ph…
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) | 4.63 | 1.35 | -13.6 | 0 | 7 | 0 | 78 | 497.975 | 7 | ↓ |
Popular Name: chloro-(4-isobutoxy-3-methoxy-phenyl)-(tetrahydrofuran-2-ylmethyl)BLAHdione chloro-(4-isobutoxy-3-methoxy-ph…
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) | 4.63 | 1.59 | -11.68 | 0 | 7 | 0 | 78 | 497.975 | 7 | ↓ |
Popular Name: chloro-(4-isobutoxy-3-methoxy-phenyl)-(tetrahydrofuran-2-ylmethyl)BLAHdione chloro-(4-isobutoxy-3-methoxy-ph…
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) | 4.63 | 1.32 | -11.47 | 0 | 7 | 0 | 78 | 497.975 | 7 | ↓ |
Popular Name: chloro-(4-isobutoxy-3-methoxy-phenyl)-(tetrahydrofuran-2-ylmethyl)BLAHdione chloro-(4-isobutoxy-3-methoxy-ph…
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) | 4.63 | 1.42 | -13.49 | 0 | 7 | 0 | 78 | 497.975 | 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) | 4.78 | 2.24 | -12.8 | 0 | 7 | 0 | 78 | 491.584 | 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) | 4.78 | 2.09 | -14.85 | 0 | 7 | 0 | 78 | 491.584 | 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) | 4.78 | 1.9 | -14.83 | 0 | 7 | 0 | 78 | 491.584 | 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) | 4.78 | 12.48 | -14.34 | 0 | 7 | 0 | 78 | 491.584 | 7 | ↓ |
Popular Name: chloro-(3,4-dimethoxyphenyl)-(tetrahydrofuran-2-ylmethyl)BLAHdione chloro-(3,4-dimethoxyphenyl)-(te…
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) | 3.51 | 1.01 | -13.97 | 0 | 7 | 0 | 78 | 455.894 | 5 | ↓ |