In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2008 | 34 | No |
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) | 4.84 | 11.33 | -37.17 | 2 | 7 | -1 | 105 | 485.618 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.84 | 12.45 | -15.23 | 3 | 7 | 0 | 107 | 486.626 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.