In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2008 | 28 | 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) | 7.01 | 13.63 | -7.93 | 0 | 2 | 0 | 37 | 439.289 | 5 | ↓ |
Lo Low (pH 4.5-6) | 7.01 | 13.81 | -45.61 | 1 | 2 | 1 | 38 | 440.297 | 5 | ↓ |