UCSF

ZINC23066811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 11 Yes

Other Names:

MFCD09731675

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) -0.25 4.17 -45.5 3 3 1 45 152.221 1
Hi High (pH 8-9.5) -0.25 3.84 -6.09 2 3 0 44 151.213 1
Mid Mid (pH 6-8) -0.25 4.65 -102.95 4 3 2 47 153.229 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% )