UCSF

ZINC33755511

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 20 Yes

Popular Name: 1-(2-Propynyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)piperazine maleate; 2-(4-Propargylpiperazino)-6,7,8,9-tetrahydro-5H-benzocycloheptene maleate; LS-113435; Piperazine, 1-(2-propynyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-bute 1-(2-Propynyl)-4-(6,7,8,9-tetrah…

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Vendors

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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) 3.78 8.65 -4.02 0 2 0 6 268.404 2 ↓
Lo Low (pH 4.5-6) 3.78 10.89 -36.88 1 2 1 8 269.412 2 ↓

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