UCSF

ZINC13282093

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 30 Yes

Popular Name: (4R)-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3,4-dihydro-[1,3,5]triazino[5,4-a]benzimidazol-2-amine (4R)-4-[1-phenyl-3-(2-thienyl)py…

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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) 3.54 13.84 -16.77 3 7 0 86 411.494 3 ↓
Mid Mid (pH 6-8) 3.54 14.32 -35.43 4 7 1 88 412.502 3 ↓
Lo Low (pH 4.5-6) 3.66 14.53 -33.05 4 7 1 85 412.502 3 ↓

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

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