UCSF

ZINC03843409

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 19 No

Popular Name: 2-(2,2-dimethyl-3-oxo-1-phenyl-propyl)propanedioic 2-(2,2-dimethyl-3-oxo-1-phenyl-p…

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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) 2.22 1.76 -132.69 0 5 -2 97 262.261 6 ↓

Vendor Notes

Note Type Comments Provided By
mp 152.5 - 153.5 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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