In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 22 | Yes |
Popular Name: 5-methyl-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(3-thienyl)oxazole 5-methyl-4-[(1-methyl-6,7-dihydr…
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) | 1.13 | 6.14 | -33.73 | 1 | 5 | 1 | 48 | 315.422 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 5.68 | -16.92 | 0 | 5 | 0 | 47 | 314.414 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 8.37 | -97.4 | 2 | 5 | 2 | 50 | 316.43 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.