UCSF

ZINC69768685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 Yes

Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(3-thienyl)ethanamine N-[[(2R)-1,4-dioxan-2-yl]methyl]…

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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) 0.77 4.21 -42.49 2 3 1 35 228.337 5 ↓
Hi High (pH 8-9.5) 0.77 2.81 -4.72 1 3 0 30 227.329 5 ↓

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

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