In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 11 | 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 | 0.86 | -41.39 | 4 | 3 | 1 | 57 | 157.237 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.17 | 0.45 | -7.04 | 3 | 3 | 0 | 55 | 156.229 | 3 | ↓ |