UCSF

ZINC37204537

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 Yes

Popular Name: 3-chloro-4-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]aniline 3-chloro-4-[[(4R)-1,3-dioxan-4-y…

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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) 2.13 4.34 -7.43 2 3 0 44 259.758 3 ↓

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Rings

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

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