UCSF

ZINC27991280

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 29 Yes

Popular Name: 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-ethyl-4-(4-(phenylmethyl)-1-piperazinyl)-; 2-Ethyl-4-(4-(phenylmethyl)-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; BRN 1047223; LS-152292 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) 5.44 11.4 -7.62 1 4 0 35 402.567 4 ↓
Mid Mid (pH 6-8) 5.44 13.74 -43.33 2 4 1 36 403.575 4 ↓
Lo Low (pH 4.5-6) 1.40 13.95 -99.54 3 4 2 39 404.583 3 ↓

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