UCSF

ZINC20282888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 Yes

Other Names:

MFCD10686753

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) 1.76 5.22 -45.08 2 4 1 46 269.752 4
Hi High (pH 8-9.5) 1.76 3.82 -5.35 1 4 0 42 268.744 4
Lo Low (pH 4.5-6) 1.76 5.79 -32.61 2 4 1 43 269.752 4
Lo Low (pH 4.5-6) 1.76 7.2 -119.08 3 4 2 47 270.76 4

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% )