UCSF

ZINC22042074

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 Yes

Popular Name: 8-Amino-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin HCl hydrate (2:6:3); LS-110226; Piperazine, 1-(8-amino-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrochloride, hydrate (2:6:3) 8-Amino-10-(4-methylpiperazino)-…

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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) 2.78 8.38 -39.66 3 3 1 34 326.489 1 ↓
Hi High (pH 8-9.5) 2.78 6.01 -4.77 2 3 0 32 325.481 1 ↓

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