UCSF

ZINC34420291

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 28 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
Hi High (pH 8-9.5) 5.25 11.69 -57.89 0 5 -1 68 385.48 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5025036; US5191108 IBM Patent Data

Activity (Go SEA)

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