In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 12 | 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) | -0.02 | -0.4 | -35.39 | 3 | 3 | 1 | 40 | 171.264 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 0.75 | -31.32 | 3 | 3 | 1 | 37 | 171.264 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.02 | 2 | -99.85 | 4 | 3 | 2 | 41 | 172.272 | 4 | ↓ |