In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2011 | 15 | Yes |
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) | 2.22 | 3.49 | -3.14 | 0 | 3 | 0 | 22 | 215.337 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 5.81 | -32.36 | 1 | 3 | 1 | 23 | 216.345 | 5 | ↓ |