UCSF

ZINC00332637

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

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) 1.17 1.2 -9.54 1 3 0 46 171.221 2
Hi High (pH 8-9.5) 1.17 1.29 -37.72 0 3 -1 48 170.213 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 93 - 97 Acros Organics
MP 93-97° Oakwood Chemical
Purity 95% Fluorochem
MP 99 TCI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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