UCSF

ZINC59816966

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 30 Yes

Popular Name: 6-butyl-5-[(2R)-2-(dimethylamino)pyrrolidin-1-yl]-7-methyl-2-(4-pyridyl)-[1,2,4]triazolo[1,5-a]pyrid 6-butyl-5-[(2R)-2-(dimethylamino…

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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) 4.10 10.67 -13.43 0 7 0 73 403.534 6 ↓
Mid Mid (pH 6-8) 4.10 13.02 -48.31 1 7 1 75 404.542 6 ↓
Lo Low (pH 4.5-6) 4.10 13.47 -91.11 2 7 2 76 405.55 6 ↓

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

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