In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 24 | 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) | 7.23 | 13.16 | -46.51 | 1 | 3 | -1 | 60 | 333.492 | 15 | ↓ |
Lo Low (pH 4.5-6) | 7.23 | 11.18 | -8.23 | 2 | 3 | 0 | 58 | 334.5 | 15 | ↓ |