UCSF

ZINC35622957

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 No

Popular Name: 2-(2H-2,3,4,5-tetraazolyl)-3-((2-methyl(4-quinolyl))amino)prop-2-enenitrile 2-(2H-2,3,4,5-tetraazolyl)-3-((2…

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CAS Number: 1025599-48-7

Other Names:

MFCD00170826

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) 1.19 5.62 -50.78 2 7 0 103 277.291 3 ↓
Lo Low (pH 4.5-6) 1.19 5.68 -39.47 3 7 1 104 278.299 3 ↓

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

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