In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 18 | 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 | 8.8 | -87.78 | 2 | 3 | 2 | 22 | 263.772 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 8.37 | -41.43 | 1 | 3 | 1 | 21 | 262.764 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 6.45 | -33.37 | 1 | 3 | 1 | 21 | 262.764 | 1 | ↓ |