UCSF

ZINC36936035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 10 Yes

Other Names:

MFCD11209047

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) 0.89 2.74 -25.54 4 3 1 56 138.194 1
Mid Mid (pH 6-8) 0.89 2.6 -5.64 3 3 0 55 137.186 1
Mid Mid (pH 6-8) 0.89 2.66 -5.98 3 3 0 55 137.186 1

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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