UCSF

ZINC70118015

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 21 Yes

Popular Name: 2-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[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) 1.23 3.86 -64.43 3 7 1 93 285.331 3 ↓
Hi High (pH 8-9.5) 1.23 3.61 -19.77 2 7 0 91 284.323 3 ↓
Mid Mid (pH 6-8) 1.23 4.26 -113.73 4 7 2 94 286.339 3 ↓

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

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