In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 23 | Yes |
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) | -0.71 | 2.63 | -30.74 | 3 | 9 | 0 | 122 | 314.305 | 3 | ↓ |
Ref Reference (pH 7) | -0.72 | 4.6 | -33.67 | 3 | 9 | 0 | 121 | 314.305 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.71 | 3.34 | -71.65 | 2 | 9 | -1 | 124 | 313.297 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.72 | 4.6 | -49.63 | 3 | 9 | 0 | 121 | 314.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.