UCSF

ZINC61702572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 20 Yes

Popular Name: (7R,8S)-7-(benzenesulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(benzenesulfonyl)-1,4-…

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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) 0.21 2.09 -45.39 3 5 1 80 298.384 2 ↓
Mid Mid (pH 6-8) 0.21 1.81 -10.32 2 5 0 79 297.376 2 ↓

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Rings

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

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