In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 26 | 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) | 3.15 | 5.65 | -11.66 | 2 | 6 | 0 | 78 | 349.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 6.41 | -52.34 | 1 | 6 | -1 | 81 | 348.382 | 4 | ↓ |