In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 22 | 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) | 3.08 | 6 | -46.84 | 0 | 5 | -1 | 64 | 332.43 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 6.22 | -14.02 | 1 | 5 | 0 | 66 | 333.438 | 3 | ↓ |