UCSF

ZINC59715426

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 37 No

Popular Name: 5-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-c 5-[5-(2-amino-4-pyridyl)benzimid…

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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) 5.13 11.45 -44.34 5 7 1 110 524.548 7 ↓
Mid Mid (pH 6-8) 5.13 10.97 -16.02 4 7 0 109 523.54 7 ↓
Lo Low (pH 4.5-6) 5.13 11.92 -95.29 6 7 2 112 525.556 7 ↓

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

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