UCSF

ZINC52783518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 14 Yes

Other Names:

MFCD16766154

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) 1.17 5.56 -87.49 3 3 2 34 193.294 1
Hi High (pH 8-9.5) 1.17 4.01 -5.05 1 3 0 28 191.278 1
Hi High (pH 8-9.5) 1.17 4.32 -24.38 2 3 1 29 192.286 1
Mid Mid (pH 6-8) 1.17 5.26 -39.42 2 3 1 33 192.286 1

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% )