In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | No |
None
None
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) | 4.61 | 10.93 | -46.98 | 2 | 6 | 1 | 67 | 471.577 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.61 | 9.2 | -44.71 | 0 | 6 | -1 | 69 | 469.561 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 10.88 | -47.86 | 2 | 6 | 1 | 67 | 471.577 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 11.5 | -31.46 | 1 | 6 | 0 | 70 | 470.569 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 8.63 | -10.31 | 1 | 6 | 0 | 66 | 470.569 | 6 | ↓ |