UCSF

ZINC67425107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 14 Yes

Popular Name: 7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecane 7,11-dimethyl-3,7,11-triazaspiro…

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CAS Number: 1308384-48-6

Other Names:

MFCD18917009

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) 0.40 2.09 -30.68 2 3 1 20 198.334 0 ↓
Mid Mid (pH 6-8) 0.40 2.14 -38.67 2 3 1 23 198.334 0 ↓
Mid Mid (pH 6-8) 0.40 3.99 -98.59 3 3 2 24 199.342 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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