In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 11 | No |
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) | 0.90 | 0.87 | -32.95 | 1 | 3 | -1 | 52 | 177.155 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.44 | 2.2 | -12.81 | 2 | 3 | 0 | 49 | 178.163 | 1 | ↓ |