In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 14 | 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) | 2.54 | 6.03 | -33.05 | 1 | 2 | 1 | 8 | 199.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 8.33 | -106.37 | 2 | 2 | 2 | 9 | 200.37 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 6.35 | -32.82 | 1 | 2 | 1 | 8 | 199.362 | 5 | ↓ |