In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 31 | No |
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) | 3.95 | 11.85 | -68.18 | 1 | 6 | 0 | 74 | 487.394 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.95 | 11.13 | -47.02 | 2 | 6 | 1 | 71 | 488.402 | 9 | ↓ |