UCSF

ZINC57318556

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 31 Yes

Popular Name: tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate tert-Butyl 2-(4-(4-chlorophenyl)…

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CAS Numbers: 1268524-69-1 , 1268524-70-4

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) 4.08 12.62 -13.76 0 6 0 69 456.999 5 ↓
Lo Low (pH 4.5-6) 4.08 13.44 -29.22 1 6 1 71 458.007 5 ↓

Vendor Notes

Note Type Comments Provided By
Target BET Selleck Chemicals

Activity (Go SEA)

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