In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 23 | Yes |
Popular Name: 2-(3-chlorophenyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxazole 2-(3-chlorophenyl)-4-[(1-methyl-…
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) | 1.97 | 7.09 | -33.49 | 1 | 5 | 1 | 48 | 329.811 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 6.62 | -14.67 | 0 | 5 | 0 | 47 | 328.803 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.97 | 9.34 | -100.37 | 2 | 5 | 2 | 50 | 330.819 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.