In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 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) | 1.21 | -1.32 | -9.69 | 3 | 6 | 0 | 87 | 299.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.21 | -0.56 | -42.46 | 2 | 6 | -1 | 90 | 298.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.21 | 0.89 | -45.68 | 4 | 6 | 1 | 88 | 300.404 | 4 | ↓ |