In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 30 | 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) | 4.71 | 10.97 | -11.06 | 0 | 5 | 0 | 36 | 401.51 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.71 | 13.05 | -39.74 | 1 | 5 | 1 | 37 | 402.518 | 6 | ↓ |