UCSF

ZINC20159599

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 13 Yes

Popular Name: 1,2-Dimethyl-1,3-benzodiazole-5-carbonitrile 1,2-Dimethyl-1,3-benzodiazole-5-…

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CAS Numbers: 80073-14-9 , [80073-14-9]

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) 1.32 6.05 -10.62 0 3 0 42 171.203 0 ↓
Lo Low (pH 4.5-6) 1.32 6.46 -36.7 1 3 1 43 172.211 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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