In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 23 | 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) | 2.87 | 7.39 | -13.24 | 2 | 4 | 0 | 58 | 325.437 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.87 | 8.81 | -62.28 | 3 | 4 | 1 | 62 | 326.445 | 5 | ↓ |