UCSF

ZINC00038022

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

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) 2.19 3.59 -9.09 2 4 0 57 236.296 3
Hi High (pH 8-9.5) 2.19 3.66 -41.18 1 4 -1 55 235.288 3
Lo Low (pH 4.5-6) 2.19 -1.17 -26.72 3 4 1 59 237.304 3

Vendor Notes

Note Type Comments Provided By
MP 113 - 115 Enamine Building Blocks
MP 113...115 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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