In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 19 | 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) | 2.98 | 9.87 | -57.4 | 1 | 4 | 0 | 48 | 262.353 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7.84 | -53.77 | 0 | 4 | -1 | 47 | 261.345 | 5 | ↓ |