UCSF

ZINC31880677

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 Yes

Popular Name: 8-Methoxy-10-(4-(3-butyryloxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate; Butanoic acid, 3-(4-(10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:2); LS-46234; Oxymethothepin butyrate di(h 8-Methoxy-10-(4-(3-butyryloxypro…

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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) 5.02 13.74 -45.77 1 5 1 43 455.644 9 ↓
Mid Mid (pH 6-8) 5.02 11.49 -8.96 0 5 0 42 454.636 9 ↓
Mid Mid (pH 6-8) 5.02 12.96 -40.58 1 5 1 43 455.644 9 ↓

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