UCSF

ZINC43919345

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.80 7.31 -15.71 2 9 0 113 471.506 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0873345A1; US6008333 IBM Patent Data

Activity (Go SEA)

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