UCSF

ZINC03593346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 32 Yes

Popular Name: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-3-sec-butyl-1-phenyl-, hydrochloride; 3-(2-Butyl)-8-(3-(4-fluorophenylthio)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane HCl; LS-154797 1,3,8-Triazaspiro(4.5)decan-4-on…

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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) 5.43 14.04 -42.16 1 4 1 28 456.651 8 ↓

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Rings

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

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