In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 14 | 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) | 1.39 | 6.51 | -42.2 | 2 | 2 | 1 | 40 | 187.266 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 5.24 | -5.65 | 1 | 2 | 0 | 36 | 186.258 | 1 | ↓ |