UCSF

ZINC19735240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 21 Yes

CAS Number: 450368-32-8

Download: MOL2 SDF SMILES Flexibase

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) 0.92 2.84 -25.04 1 8 0 92 294.311 3

Vendor Notes

Note Type Comments Provided By
MP 224-227° Matrix Scientific
Warnings Irritant Matrix Scientific

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

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