UCSF

ZINC34384385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 8 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) 0.42 -0.18 -34.05 2 2 1 20 115.2 1
Hi High (pH 8-9.5) 0.42 -1.85 -2.12 1 2 0 15 114.192 1
Lo Low (pH 4.5-6) 0.42 0.51 -28.07 2 2 1 16 115.2 1

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% )