In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 29 | No |
Popular Name: 1-(3-dimethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(4-pyridyl)-5H-pyrrol-2-one 1-(3-dimethylaminopropyl)-4-(2,5…
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) | 2.21 | 9.52 | -45.65 | 2 | 6 | 1 | 75 | 394.495 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 10.04 | -112.03 | 3 | 6 | 2 | 76 | 395.503 | 6 | ↓ |