In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 24 | 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) | 1.52 | 3.28 | -14.02 | 2 | 6 | 0 | 88 | 347.44 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 3.56 | -49.29 | 3 | 6 | 1 | 89 | 348.448 | 7 | ↓ |