In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 37 | 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) | 4.62 | 13.73 | -18.84 | 1 | 7 | 0 | 78 | 498.627 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.62 | 14.02 | -40.74 | 2 | 7 | 1 | 80 | 499.635 | 13 | ↓ |