UCSF

ZINC19735775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) 1.03 2.52 -43.56 3 2 1 31 197.327 3
Hi High (pH 8-9.5) 1.03 2.19 -2.03 2 2 0 29 196.319 3
Mid Mid (pH 6-8) 1.03 4.19 -30.02 3 2 1 30 197.327 3

Vendor Notes

Note Type Comments Provided By
MP 194 - 196 Enamine Building Blocks
MP 194...196 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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