UCSF

ZINC66055244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 14 No

Popular Name: 5-HYDROXY-1-METHYL-2,3-DIAZASPIRO[5.5]UNDEC-1-EN-4-ONE 5-HYDROXY-1-METHYL-2,3-DIAZASPIR…

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CAS Number: 1311254-67-7

Other Names:

MFCD19382507

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Annotations

None

Vendors

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) 0.91 -0.02 -7.65 2 4 0 62 196.25 0 ↓
Hi High (pH 8-9.5) 1.10 -1.72 -51.15 1 4 -1 68 195.242 0 ↓

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.