UCSF

ZINC39934063

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 16 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) 1.02 2.54 -116.24 4 4 2 52 224.304 3
Hi High (pH 8-9.5) 1.02 1.18 -35.4 3 4 1 47 223.296 3
Hi High (pH 8-9.5) 1.02 -0.11 -4.85 2 4 0 43 222.288 3
Hi High (pH 8-9.5) 1.02 1.25 -38.64 3 4 1 47 223.296 3

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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