UCSF

ZINC16994414

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 12 Yes

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

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CAS Numbers: , 5899-94-5

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) -0.34 1.7 -46.45 2 6 -1 92 164.148 0 ↓
Mid Mid (pH 6-8) 1.30 3.13 -24.33 2 7 0 90 346.383 9 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0073463A1; EP0074515A1; US4622391; US4628082; US4942225 IBM Patent Data

Activity (Go SEA)

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