UCSF

ZINC59816611

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 Yes

Popular Name: 2-tert-butyl-7-methyl-6-phenyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile 2-tert-butyl-7-methyl-6-phenyl-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) 3.91 12.13 -51.84 2 6 1 74 375.5 3 ↓
Hi High (pH 8-9.5) 3.91 10.83 -9.37 1 6 0 69 374.492 3 ↓

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

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