In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 22 | Yes |
Popular Name: 2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide 2-(1-methyl-6,7-dihydro-4H-imida…
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) | -0.92 | 3.84 | -43.19 | 3 | 7 | 1 | 81 | 306.39 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.92 | 3.38 | -27.63 | 2 | 7 | 0 | 79 | 305.382 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.92 | 5.53 | -60.01 | 3 | 7 | 1 | 80 | 306.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.