In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 19 | 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) | 1.77 | 2.46 | -38.12 | 3 | 5 | 1 | 64 | 271.381 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 1.17 | -11.39 | 2 | 5 | 0 | 60 | 270.373 | 7 | ↓ |