UCSF

ZINC33826865

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 24 Yes

Popular Name: 2-(Methylthio)-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin di(hydrogen maleate); LS-111707; Piperazine, 1-(10,11-dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2) 2-(Methylthio)-10-(4-methylpiper…

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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) 4.14 11.54 -38.6 1 2 1 8 357.568 2 ↓
Hi High (pH 8-9.5) 4.14 9.19 -4.21 0 2 0 6 356.56 2 ↓

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