In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | 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) | 3.02 | 6.82 | -39.69 | 3 | 2 | 1 | 31 | 247.406 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 8.28 | -111.68 | 4 | 2 | 2 | 32 | 248.414 | 4 | ↓ |