In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 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) | 0.44 | 5.41 | -47.23 | 3 | 2 | 1 | 31 | 239.342 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 7.37 | -36.77 | 3 | 2 | 1 | 30 | 239.342 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 5.1 | -3.35 | 2 | 2 | 0 | 29 | 238.334 | 2 | ↓ |