In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 1.65 | 2.62 | -50.57 | 3 | 4 | 1 | 53 | 316.219 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 4.38 | -130.92 | 4 | 4 | 2 | 54 | 317.227 | 3 | ↓ |