UCSF

ZINC52530425

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: (2R)-3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1,1,1-trifluoro-2-propanol (2R)-3-(1,4-dioxa-8-azaspiro[4.5…

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CAS Number: 477762-19-9

Other Names:

MFCD06809966

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) 0.90 2.67 -25.51 1 4 0 46 255.236 3 ↓
Hi High (pH 8-9.5) 0.90 -0.06 -5.22 1 4 0 42 255.236 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 88 - 89 KeyOrganics

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Rings

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