In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 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) | 4.53 | 11.02 | -15.16 | 2 | 7 | 0 | 91 | 488.547 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.53 | 11.79 | -54.93 | 1 | 7 | -1 | 94 | 487.539 | 7 | ↓ |