In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 22 | Yes |
Popular Name: 4-[3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propoxy]benzonitrile 4-[3-(1-methyl-6,7-dihydro-4H-im…
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) | 1.18 | 8.67 | -36.43 | 1 | 5 | 1 | 55 | 297.382 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 8.2 | -13.35 | 0 | 5 | 0 | 54 | 296.374 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 10.43 | -50.13 | 1 | 5 | 1 | 55 | 297.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.