In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2007 | 30 | No |
Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(1-naphthyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-3-hydroxy-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) | 4.20 | 10.4 | -56.07 | 0 | 5 | -1 | 70 | 420.872 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 9.34 | -29.33 | 1 | 5 | 0 | 67 | 421.88 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.62 | -0.23 | -15.25 | 0 | 5 | 0 | 63 | 421.88 | 6 | ↓ |