In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 6th, 2009 | 15 | 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) | 1.78 | 3.11 | -30.16 | 0 | 4 | -1 | 44 | 248.089 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 3.22 | -7.05 | 1 | 4 | 0 | 45 | 249.097 | 1 | ↓ |