UCSF

ZINC22041551

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 25 Yes

Popular Name: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)piperazine maleate; 8-Chloro-10-(4-allylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate; LS-111117; Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-propenyl)-, (Z) 1-(8-Chloro-10,11-dihydrodibenzo…

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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) 5.03 12.29 -38.12 1 2 1 8 371.957 3 ↓
Mid Mid (pH 6-8) 5.03 10.02 -3.35 0 2 0 6 370.949 3 ↓
Mid Mid (pH 6-8) 5.03 11.45 -36.47 1 2 1 8 371.957 3 ↓

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