In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 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) | 2.19 | 8.44 | -13.93 | 1 | 8 | 0 | 95 | 423.498 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 8.91 | -46.12 | 2 | 8 | 1 | 96 | 424.506 | 9 | ↓ |