UCSF

ZINC01436083

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 12 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) 1.14 2.23 -7.13 1 3 0 38 163.176 1
Ref Reference (pH 7) 2.10 0.16 -7.09 2 3 0 45 163.176 1
Hi High (pH 8-9.5) 2.10 0.93 -44.98 1 3 -1 48 162.168 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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