In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 31 | No |
Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(4-tert-butylphenyl)-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) | 5.02 | 11.59 | -38.13 | 0 | 5 | -1 | 70 | 440.947 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.46 | 9.69 | -27.95 | 1 | 5 | 0 | 67 | 441.955 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 0.51 | -21.95 | 0 | 5 | 0 | 63 | 441.955 | 8 | ↓ |