In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 12 | 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) | 3.01 | 6.58 | -4.03 | 0 | 1 | 0 | 13 | 161.248 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 6.96 | -28.26 | 1 | 1 | 1 | 14 | 162.256 | 1 | ↓ |