In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 13 | Yes |
None
None
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) | 1.14 | 4.45 | -44.91 | 2 | 4 | 0 | 70 | 176.175 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.14 | 3.99 | -62.82 | 1 | 4 | -1 | 69 | 175.167 | 1 | ↓ |