In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 14 | 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) | 1.36 | 4.22 | -10.47 | 2 | 3 | 0 | 44 | 187.246 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 4.31 | -26.83 | 3 | 3 | 1 | 45 | 188.254 | 1 | ↓ |