UCSF

ZINC62962778

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 No

Popular Name: [(3S)-3-(9-azaspiro[5.5]undecan-9-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(9-azaspiro[5.5]undecan-…

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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) 1.13 1.45 -9.65 2 4 0 63 300.468 2 ↓
Mid Mid (pH 6-8) 1.13 1.82 -62.81 3 4 1 65 301.476 2 ↓
Mid Mid (pH 6-8) 1.13 3.07 -44.84 3 4 1 65 301.476 2 ↓
Lo Low (pH 4.5-6) 1.13 3.52 -152.49 4 4 2 66 302.484 2 ↓

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Rings

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

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