In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 17 | 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) | 2.76 | 7.93 | -32.5 | 1 | 2 | 1 | 8 | 233.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 8.21 | -33.99 | 1 | 2 | 1 | 8 | 233.379 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 5.96 | -1.87 | 0 | 2 | 0 | 6 | 232.371 | 4 | ↓ |