UCSF

ZINC22041353

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 Yes

Popular Name: 5-(4-Methylpiperazino)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin di(hydrogen maleate); LS-111384; Piperazine, 1-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-methyl-, (Z)-2-butenedioate (1:2) 5-(4-Methylpiperazino)-8-chloro-…

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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) 2.88 7.37 -38.19 1 3 1 17 281.807 1 ↓
Hi High (pH 8-9.5) 2.88 5 -2.74 0 3 0 16 280.799 1 ↓

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