In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 18 | 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) | 3.15 | 7.11 | -30.5 | 2 | 2 | 1 | 29 | 259.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 6.21 | -5.53 | 1 | 2 | 0 | 25 | 258.39 | 4 | ↓ |