UCSF

ZINC66054954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 22 Yes

Popular Name: 2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane 2-(Diphenylmethyl)-5-oxa-2,8-dia…

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CAS Number: 1179337-03-1

Other Names:

MFCD11227128

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) 2.72 6.52 -45.05 2 3 1 29 295.406 3 ↓
Mid Mid (pH 6-8) 2.72 5.13 -4.94 1 3 0 24 294.398 3 ↓
Mid Mid (pH 6-8) 2.72 7.67 -35.17 2 3 1 26 295.406 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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