In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 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) | 0.50 | 7.7 | -54.34 | 1 | 5 | 0 | 81 | 219.244 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 7.25 | -48.1 | 0 | 5 | -1 | 80 | 218.236 | 5 | ↓ |