In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 19 | Yes |
Popular Name: 4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine 4-(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) | -0.09 | 8.7 | -36.18 | 2 | 6 | 1 | 64 | 255.305 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.09 | 8.23 | -13.94 | 1 | 6 | 0 | 63 | 254.297 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.09 | 9.17 | -76.26 | 3 | 6 | 2 | 65 | 256.313 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.