UCSF

ZINC19359329

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 Yes

Popular Name: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate; LS-111096; Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate 1-(2-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) 4.38 11.22 -39.67 1 2 1 8 345.919 1 ↓
Mid Mid (pH 6-8) 4.38 8.76 -2.95 0 2 0 6 344.911 1 ↓
Mid Mid (pH 6-8) 4.38 10.3 -36.48 1 2 1 8 345.919 1 ↓

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