In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 18 | Yes |
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) | 3.30 | 7.44 | -29.69 | 2 | 3 | 1 | 39 | 258.37 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 7.28 | -9.14 | 1 | 3 | 0 | 38 | 257.362 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 7.38 | -26.25 | 2 | 3 | 1 | 39 | 258.37 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.