In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 33 | No |
Popular Name: (5S)-5-(4-allyloxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-5-(4-allyloxyphenyl)-4-(4-e…
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) | 3.77 | 9.34 | -59.98 | 0 | 7 | -1 | 88 | 450.511 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 8.39 | -27.96 | 1 | 7 | 0 | 85 | 451.519 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 9.36 | -21.72 | 0 | 7 | 0 | 82 | 451.519 | 12 | ↓ |