UCSF

ZINC34060327

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 8 Yes

Other Names:

MFCD11623815

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) -0.49 -0.08 -41.19 3 2 1 31 115.2 3
Hi High (pH 8-9.5) -0.49 1.85 -29.07 3 2 1 30 115.2 3
Mid Mid (pH 6-8) -0.49 2.29 -106.56 4 2 2 32 116.208 3

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% )