In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2010 | 25 | 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) | 2.06 | 6.91 | -100.05 | 6 | 3 | 2 | 59 | 339.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 7.75 | -104.39 | 6 | 3 | 2 | 58 | 339.527 | 8 | ↓ |