In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2011 | 16 | 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) | 3.18 | 6.64 | -1.77 | 2 | 2 | 0 | 29 | 222.307 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 6.72 | -32.02 | 3 | 2 | 1 | 30 | 223.315 | 1 | ↓ |