UCSF

ZINC03634242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 22 Yes

Popular Name: 4-(6-Chlorothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-1-methylpiperidine maleate; 6-Chloro-4-(1-methyl-4-piperidylidene)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin maleate; LS-114880; Piperidine, 4-(6-chlorothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-1-meth 4-(6-Chlorothieno(2,3-c)(2)benzo…

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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) 4.88 12.21 -38.34 1 1 1 4 348.944 0 ↓
Hi High (pH 8-9.5) 4.88 9.85 -4.74 0 1 0 3 347.936 0 ↓

Activity (Go SEA)

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