UCSF

ZINC37241629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 10 Yes

Other Names:

MFCD11640858

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) 0.61 3.18 -28.73 2 2 1 16 141.238 2
Hi High (pH 8-9.5) 0.61 0.8 -1.49 1 2 0 15 140.23 2
Lo Low (pH 4.5-6) 0.61 2.09 -36.04 2 2 1 20 141.238 2
Lo Low (pH 4.5-6) 0.61 4.49 -101.2 3 2 2 21 142.246 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% )