In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2006 | 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) | -0.17 | 0.03 | -12.33 | 1 | 5 | 0 | 64 | 188.158 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.29 | -2.49 | -52.89 | 0 | 5 | -1 | 67 | 187.15 | 3 | ↓ |