In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 16 | 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) | -0.53 | -0.17 | -47.3 | 5 | 5 | 1 | 91 | 228.316 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.53 | -0.51 | -13.29 | 4 | 5 | 0 | 89 | 227.308 | 4 | ↓ |