UCSF

ZINC33828229

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 Yes

Popular Name: 10-(3,4-Dimethylpiperazino)-8-methylthio-10,11-dihydrodibenzo(b,f)thiepin maleate; 4-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1,2-dimethylpiperazine maleate; LS-111703; Piperazine, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1 10-(3,4-Dimethylpiperazino)-8-me…

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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) 4.47 12.03 -36.41 1 2 1 8 371.595 2 ↓
Hi High (pH 8-9.5) 4.47 9.73 -4.63 0 2 0 6 370.587 2 ↓

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