UCSF

ZINC53629289

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 31 No

Popular Name: N-(4-acetylphenyl)-2-[[(3R,5R)-5-(4-methyl-1H-imidazol-5-yl)-4-phenyl-3,5-dihydro-1,2,4-triazol-3-yl N-(4-acetylphenyl)-2-[[(3R,5R)-5…

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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) 2.98 7.66 -14.74 2 8 0 103 434.525 7 ↓
Mid Mid (pH 6-8) 2.98 7.16 -46.49 3 8 1 104 435.533 7 ↓

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

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