UCSF

ZINC27997759

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 22 Yes

Popular Name: 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-4-(1-piperazinyl)-; 2-Ethyl-4-(1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; BRN 1023647; LS-152293 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) 3.45 7.8 -46.53 3 4 1 49 313.45 2 ↓
Mid Mid (pH 6-8) 3.45 6.44 -8.37 2 4 0 44 312.442 2 ↓
Mid Mid (pH 6-8) 3.45 6.33 -128.52 4 4 2 50 314.458 2 ↓

Activity (Go SEA)

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