UCSF

ZINC19014778

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.05 4.71 -4.51 4 2 0 52 198.269 2

Vendor Notes

Note Type Comments Provided By
mp 231 MolMall (formerly Molecular Diversity Preservation International)
Boiling_Point 232?/9mm Alfa-Aesar
Boiling_Point 232°/9mm Alfa-Aesar
BP 257 / 18 TCI
MP 88 - 90 Enamine Building Blocks
Melting_Point 88-92? Alfa-Aesar
Melting_Point 88-92° Alfa-Aesar
MP 88...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 TCI
purity 95 Enamine Building Blocks
Purity 97% APIChem
UniProt Database Links ADA2_YEAST; AFAP1_HUMAN; AHC1_YEAST; CCR4_YEAST; CDC31_YEAST; CDN1A_HUMAN; CF130_YEAST; CHD1_YEAST; CSAG2_HUMAN; DDR1_HUMAN; FIBH_BOMMA; FIBH_BOMMO; FIBL_BOMMO; FIBL_GALME; FOXA1_MOUSE; FOXA2_MOUSE; FRDA_HUMAN; GCN5_YEAST; GLE1_YEAST; GLE2_YEAST; HFI1_YEA ChEBI
Patent Database Links EP1698625; US2004266737; US2008281112 ChEBI

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