In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 24 | Yes |
Popular Name: 3-ethyl-5-[1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]imidazol-2-yl]isoxazole 3-ethyl-5-[1-[(4-methyl-5,6,7,8-…
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) | 2.90 | 9.52 | -11.42 | 0 | 6 | 0 | 70 | 323.4 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 10.08 | -33.74 | 1 | 6 | 1 | 71 | 324.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.