UCSF

ZINC66649965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 26 No

Popular Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H…

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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) 0.37 6.23 -28.25 3 8 0 119 374.47 6 ↓
Hi High (pH 8-9.5) 1.55 4.17 -92.78 1 8 -2 120 372.454 6 ↓
Mid Mid (pH 6-8) 1.09 6.04 -54.6 2 8 -1 116 373.462 6 ↓

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

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