UCSF

ZINC13471336

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 18 Yes

Popular Name: MFCD04113998 MFCD04113998

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CAS Number: 1005054-67-0

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) 3.28 7.99 -33.29 2 2 1 16 247.406 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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