In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2008 | 32 | Yes |
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) | 4.52 | 8.51 | -10.48 | 0 | 5 | 0 | 56 | 438.405 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.52 | 3.12 | -124.02 | 2 | 5 | 2 | 58 | 440.421 | 4 | ↓ |