UCSF

ZINC44248902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 Yes

Other Names:

MFCD06212972

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) 0.52 2.52 -90.04 5 3 2 47 193.294 2
Hi High (pH 8-9.5) 0.52 1.21 -43.16 4 3 1 43 192.286 2

Vendor Notes

Note Type Comments Provided By
MP 163 - 165 Enamine Building Blocks
MP 163...165 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )