In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 24 | Yes |
Popular Name: 2-(4-methoxyphenyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazole 2-(4-methoxyphenyl)-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) | 2.02 | 8.28 | -32.11 | 1 | 5 | 1 | 44 | 341.46 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 7.81 | -14.71 | 0 | 5 | 0 | 43 | 340.452 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 10.53 | -97.2 | 2 | 5 | 2 | 46 | 342.468 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.