UCSF

ZINC19737180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 11 Yes

CAS Numbers: 1251925-14-0 , 193473-66-4

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) -0.76 0.07 -55.99 4 4 1 65 153.209 3
Hi High (pH 8-9.5) -0.76 -0.25 -7.9 3 4 0 64 152.201 3
Mid Mid (pH 6-8) -0.76 0.24 -93.06 5 4 2 67 154.217 3
Lo Low (pH 4.5-6) -0.76 0.23 -100.54 5 4 2 67 154.217 3

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% )