UCSF

ZINC66323455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 25 Yes

Popular Name: MFCD19442210 MFCD19442210

Find On: PubMed — Wikipedia — Google

CAS Number: 1332528-29-6

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) 2.20 7.03 -37.72 2 7 1 76 356.487 4 ↓
Hi High (pH 8-9.5) 2.20 5.53 -5.28 1 7 0 71 355.479 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 91% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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