In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 15 | 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) | 2.82 | 8.05 | -111.03 | 3 | 2 | 2 | 21 | 214.397 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 6.69 | -32.05 | 2 | 2 | 1 | 16 | 213.389 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 6.15 | -35.41 | 2 | 2 | 1 | 20 | 213.389 | 6 | ↓ |