In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 30 | 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) | 2.58 | 9.37 | -71.62 | 1 | 7 | 0 | 87 | 410.47 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 8.48 | -44.47 | 2 | 7 | 1 | 84 | 411.478 | 7 | ↓ |