In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2011 | 31 | 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) | 6.17 | 7.72 | -17.31 | 3 | 6 | 0 | 95 | 492.409 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.63 | 6.47 | -44.71 | 2 | 6 | -1 | 98 | 491.401 | 5 | ↓ |