In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2009 | 22 | 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) | -0.49 | 7.06 | -88.4 | 2 | 4 | 2 | 41 | 296.37 | 0 | ↓ |
Mid Mid (pH 6-8) | -0.49 | 4.59 | -30.5 | 1 | 4 | 1 | 40 | 295.362 | 0 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 5.49 | -10.02 | 0 | 4 | 0 | 37 | 294.354 | 1 | ↓ |