In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 30 | No |
Popular Name: (5S)-5-(4-chlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-5-(4-chlorophenyl)-4-(4-eth…
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) | 3.74 | 9.5 | -39.06 | 0 | 6 | -1 | 79 | 428.892 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.19 | 8.09 | -27.51 | 1 | 6 | 0 | 76 | 429.9 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 9.06 | -21.38 | 0 | 6 | 0 | 73 | 429.9 | 9 | ↓ |