UCSF

ZINC59816405

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 No

Popular Name: 5-[(2S)-2-(dimethylamino)pyrrolidin-1-yl]-2-(fluoromethyl)-7-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]p 5-[(2S)-2-(dimethylamino)pyrroli…

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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) 3.58 11.05 -10.77 0 6 0 60 378.455 4 ↓
Mid Mid (pH 6-8) 3.58 13.97 -41.55 1 6 1 62 379.463 4 ↓

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

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