In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 13 | 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) | -3.44 | 0.16 | -80.97 | 5 | 5 | 1 | 88 | 188.251 | 3 | ↓ |
Hi High (pH 8-9.5) | -3.44 | -0.24 | -68.65 | 4 | 5 | 0 | 86 | 187.243 | 3 | ↓ |