In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2007 | 38 | No |
Popular Name: 3-hydroxy-4-[4-(m-tolylmethoxy)benzoyl]-5-(p-tolyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-4-[4-(m-tolylmethoxy)b…
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) | 5.01 | 14.8 | -42.43 | 0 | 6 | -1 | 83 | 503.578 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.46 | 13.42 | -30.04 | 1 | 6 | 0 | 80 | 504.586 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.46 | 13.7 | -61.66 | 2 | 6 | 1 | 81 | 505.594 | 7 | ↓ |