In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 20 | 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) | 2.36 | 3.84 | -3.71 | 0 | 4 | 0 | 25 | 284.444 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 5.85 | -35.88 | 1 | 4 | 1 | 26 | 285.452 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 6.11 | -36.4 | 1 | 4 | 1 | 26 | 285.452 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 8.12 | -80.89 | 2 | 4 | 2 | 27 | 286.46 | 8 | ↓ |