UCSF

ZINC42460230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 Yes

Other Names:

MFCD14664717

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) 0.50 1.86 -32.95 2 3 1 29 173.28 5
Mid Mid (pH 6-8) 0.50 2.87 -29.99 2 3 1 26 173.28 5

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% )