In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 15 | No |
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) | -0.54 | -2.06 | -41.5 | 3 | 6 | -1 | 107 | 228.253 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.54 | -1.84 | -42.41 | 3 | 6 | -1 | 107 | 228.253 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.54 | -2.12 | -12.98 | 4 | 6 | 0 | 105 | 229.261 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.54 | -2.11 | -47.69 | 4 | 6 | 0 | 108 | 229.261 | 3 | ↓ |