In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 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) | 1.69 | 3.69 | -120.93 | 5 | 3 | 2 | 52 | 224.348 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 1.67 | -48.11 | 4 | 3 | 1 | 51 | 223.34 | 6 | ↓ |