UCSF

ZINC22995834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 Yes

Popular Name: tert-butyl 11'-methoxy-2',8'-diazaspiro[piperidine- 4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]- 1'(9'),10',12'-triene-1-carboxylate tert-butyl 11'-methoxy-2',8'-dia…

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CAS Number: 1048913-22-9

Other Names:

MFCD11100225

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) 3.84 9.07 -9.1 1 6 0 56 369.465 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.240000000000000e+002 - 1.260000000000000e+002 KeyOrganics
melting_point 124 - 126 KeyOrganics

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Rings

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

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