UCSF

ZINC70118651

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 7-[[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) 0.63 1.42 -68.55 3 8 1 106 292.348 3 ↓
Hi High (pH 8-9.5) 0.63 1.16 -22.86 2 8 0 104 291.34 3 ↓
Lo Low (pH 4.5-6) 0.63 1.85 -119.47 4 8 2 107 293.356 3 ↓

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

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