In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 39 | 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) | 7.61 | 14.36 | -13.68 | 2 | 6 | 0 | 78 | 527.64 | 10 | ↓ |
Hi High (pH 8-9.5) | 7.61 | 15.5 | -37.2 | 1 | 6 | -1 | 81 | 526.632 | 10 | ↓ |