UCSF

ZINC38233816

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 0.43 -0.21 -6.39 1 3 0 42 125.127 1
Hi High (pH 8-9.5) 0.43 0.68 -45.45 0 3 -1 45 124.119 1
Mid Mid (pH 6-8) 0.43 0.25 -34.55 2 3 1 44 126.135 1
Lo Low (pH 4.5-6) 0.43 1.15 -31.59 1 3 0 46 125.127 1

Vendor Notes

Note Type Comments Provided By
Purity 95% 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.