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) | 4.79 | 11.12 | -52.77 | 2 | 7 | 1 | 77 | 471.533 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 8.86 | -10.81 | 1 | 7 | 0 | 75 | 470.525 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 9.46 | -42.25 | 0 | 7 | -1 | 78 | 469.517 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 11.68 | -33.51 | 1 | 7 | 0 | 79 | 470.525 | 4 | ↓ |