In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 19 | 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) | 2.94 | 8.28 | -8.12 | 0 | 4 | 0 | 38 | 257.337 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 8.73 | -28.48 | 1 | 4 | 1 | 40 | 258.345 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 8.74 | -28.03 | 1 | 4 | 1 | 40 | 258.345 | 2 | ↓ |