UCSF

ZINC00338234

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 17 Yes

Popular Name: MFCD00681034 MFCD00681034

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CAS Numbers: 351357-11-4 , 462066-99-5

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) 3.05 7.98 -57.15 0 3 -1 53 226.255 1 ↓
Mid Mid (pH 6-8) 3.05 8.35 -51.53 1 3 0 54 227.263 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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