In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 15 | Yes |
None
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) | -0.39 | 5.69 | -37.42 | 3 | 4 | 0 | 71 | 216.325 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.39 | 4.16 | -32.03 | 3 | 4 | 0 | 71 | 216.325 | 8 | ↓ |
Mid Mid (pH 6-8) | -0.39 | 5.73 | -79.21 | 4 | 4 | 1 | 72 | 217.333 | 8 | ↓ |