UCSF

ZINC65356813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 11 Yes

Other Names:

MFCD18862355

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) -0.27 -0.24 -28.78 3 3 1 37 157.237 1
Hi High (pH 8-9.5) -0.27 -1.08 -39.17 3 3 1 40 157.237 1
Mid Mid (pH 6-8) -0.27 1.2 -100.79 4 3 2 41 158.245 1

Vendor Notes

Note Type Comments Provided By
MP 82 - 84 Enamine Building Blocks
MP 82...84 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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