UCSF

ZINC36969077

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 Yes

Popular Name: (1-cyclopropylethyl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine dihydrochloride (1-cyclopropylethyl)(1-{[1,2,4]t…

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CAS Numbers: 1156208-28-4 , 1258650-23-5

Download: MOL2 SDF SMILES Flexibase

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) 2.19 7.56 -42.2 2 4 1 47 231.323 4 ↓
Hi High (pH 8-9.5) 2.19 6.77 -14.32 1 4 0 42 230.315 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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