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) | 5.09 | 11.8 | -55.13 | 2 | 6 | 1 | 67 | 475.54 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.09 | 10.13 | -41.38 | 0 | 6 | -1 | 69 | 473.524 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 12.37 | -35.44 | 1 | 6 | 0 | 70 | 474.532 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.09 | 9.55 | -10.77 | 1 | 6 | 0 | 66 | 474.532 | 5 | ↓ |