UCSF

ZINC22041225

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 Yes

Popular Name: 1-(8-Butyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate H2O; LS-110583; Piperazine, 1-(8-butyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:2:1) 1-(8-Butyl-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) 5.57 13.44 -39.34 1 2 1 8 367.582 4 ↓
Hi High (pH 8-9.5) 5.57 11.08 -3.75 0 2 0 6 366.574 4 ↓

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