In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 13 | 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) | -1.46 | 3.47 | -30.63 | 2 | 4 | 0 | 57 | 186.255 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.46 | 3.96 | -97.55 | 3 | 4 | 1 | 61 | 187.263 | 3 | ↓ |