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) | 5.12 | 11.82 | -55.57 | 2 | 6 | 1 | 67 | 475.54 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.12 | 12.38 | -35.69 | 1 | 6 | 0 | 70 | 474.532 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.12 | 9.56 | -11.43 | 1 | 6 | 0 | 66 | 474.532 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.12 | 10.15 | -42.31 | 0 | 6 | -1 | 69 | 473.524 | 5 | ↓ |