UCSF

ZINC70117909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 Yes

Popular Name: 5-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 5-[[4-(1-amino-1-methyl-ethyl)tr…

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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) 0.14 2.94 -82.65 3 9 0 125 274.288 3 ↓
Hi High (pH 8-9.5) 0.14 2.68 -51.9 2 9 -1 123 273.28 3 ↓
Lo Low (pH 4.5-6) -0.31 3.9 -78.34 4 9 1 121 275.296 3 ↓

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

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