UCSF

ZINC04352693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 9 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) 2.52 -1.6 -4.51 0 2 0 22 235.024 1
Lo Low (pH 4.5-6) 2.52 -1 -26.51 1 2 1 23 236.032 1

Vendor Notes

Note Type Comments Provided By
MP 39-40° Matrix Scientific
Purity 95% Fluorochem
Purity 98+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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