In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 31 | 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) | 3.90 | 10.86 | -46.37 | 3 | 5 | 1 | 58 | 420.577 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.90 | 11.01 | -126.72 | 4 | 5 | 2 | 63 | 421.585 | 6 | ↓ |