UCSF

ZINC59817067

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 32 Yes

Popular Name: 5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-6-phenyl-2-(4-pyridyl)-[1,2,4]triazolo[1,5-a]pyri 5-[(2R)-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) 4.03 13.61 -11.1 0 7 0 73 423.524 4 ↓
Mid Mid (pH 6-8) 4.03 13.68 -45.31 1 7 1 75 424.532 4 ↓
Lo Low (pH 4.5-6) 4.03 14.14 -90.53 2 7 2 76 425.54 4 ↓

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

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