In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 12 | 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 | 0.36 | -41.42 | 1 | 5 | -1 | 97 | 163.112 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.17 | 1.38 | -117.05 | 0 | 5 | -2 | 100 | 162.104 | 1 | ↓ |