UCSF

ZINC37193393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 Yes

Popular Name: 4-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-3-methyl-aniline 4-[[(3S)-1,4-dioxaspiro[4.4]nona…

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Download: MOL2 SDF SMILES Flexibase

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) 3.10 6.49 -6.16 2 3 0 44 279.405 3 ↓

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Rings

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

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