UCSF

ZINC37115950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 Yes

Other Names:

MFCD11154971

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) 1.09 3.23 -35.75 2 3 1 29 199.318 2
Lo Low (pH 4.5-6) 1.09 4.85 -113.82 3 3 2 30 200.326 2

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% )