UCSF

ZINC22767246

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 Yes

Popular Name: (2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide (2S)-2-(1-methylimidazol-2-yl)su…

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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) 3.95 9.34 -13.3 1 6 0 65 373.478 4 ↓
Lo Low (pH 4.5-6) 3.95 9.64 -42.05 2 6 1 67 374.486 4 ↓

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

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