UCSF

ZINC55646889

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 25 Yes

Popular Name: 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-tert-butyl-4-(4-methyl-1-piperazinyl)-; 2-tert-Butyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; 4H-Thieno(3,4-b)(1,5)benzodiazepine, 2-(1,1-dimethylethyl)-4-(4-methyl-1-piperazinyl)-; BRN 56318 10H-Thieno(2,3-b)(1,5)benzodiaze…

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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) 5.20 8.8 -7.33 1 4 0 35 354.523 2 ↓
Mid Mid (pH 6-8) 5.20 11.16 -41.63 2 4 1 36 355.531 2 ↓
Lo Low (pH 4.5-6) 1.15 11.64 -93.81 3 4 2 39 356.539 1 ↓

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