UCSF

ZINC69770107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 1-methyl-5-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[[4-(2,2,2-trifluoroe…

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Physical Representations

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) 1.85 8.51 -34 1 4 1 32 326.342 5 ↓
Hi High (pH 8-9.5) 1.85 8.05 -12.2 0 4 0 30 325.334 5 ↓
Mid Mid (pH 6-8) 1.85 10.74 -104.69 2 4 2 33 327.35 5 ↓
Lo Low (pH 4.5-6) 1.85 10.27 -47.74 1 4 1 31 326.342 5 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.