In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2006 | 31 | No |
Popular Name: 3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5-(1-naphthyl)-5H-pyrrol-2-one 3-hydroxy-4-(4-methoxybenzoyl)-1…
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) | 3.58 | 9.23 | -56.74 | 0 | 6 | -1 | 79 | 416.453 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.02 | 8.13 | -30.27 | 1 | 6 | 0 | 76 | 417.461 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 9.09 | -14.94 | 0 | 6 | 0 | 73 | 417.461 | 7 | ↓ |