UCSF

ZINC72266981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 38 No

Popular Name: 10-(4-(3-Decanoyloxypropyl)piperazino)-8-methylthio-10,11-dihydrodibenzo(b,f)thiepin dimaleate; Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester, (Z)-2-butenedioate (1:2); LS-59352; Oxyprothepin decano 10-(4-(3-Decanoyloxypropyl)piper…

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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) 8.36 20.16 -45.49 1 4 1 34 555.874 15 ↓
Mid Mid (pH 6-8) 8.36 17.91 -8.27 0 4 0 33 554.866 15 ↓
Mid Mid (pH 6-8) 8.36 19.38 -40.35 1 4 1 34 555.874 15 ↓

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

No pre-computed analogs available. Try a structural similarity search.