UCSF

ZINC00343387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 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) 3.03 6.67 -5.71 1 2 0 25 170.215 2
Lo Low (pH 4.5-6) 3.03 6.33 -29.03 2 2 1 26 171.223 2

Vendor Notes

Note Type Comments Provided By
MP 78 - 82 Enamine Building Blocks
MP 78...82 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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