UCSF

ZINC22149743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) -0.11 -0.28 -47.98 4 4 1 60 200.306 3
Mid Mid (pH 6-8) -0.11 1.64 -38.14 4 4 1 60 200.306 3
Mid Mid (pH 6-8) -0.11 1.95 -106.46 5 4 2 61 201.314 3

Vendor Notes

Note Type Comments Provided By
MP 271 - 273 Enamine Building Blocks
MP 271...273 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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