UCSF

ZINC21961631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

CAS Numbers: 926204-84-4 , N/A

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) 1.74 3.87 -105.09 4 3 2 45 207.321 2
Hi High (pH 8-9.5) 1.74 4.89 -4.57 2 3 0 42 205.305 2
Mid Mid (pH 6-8) 1.74 3.63 -48.02 3 3 1 44 206.313 2

Vendor Notes

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

Activity (Go SEA)

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