UCSF

ZINC34584158

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) 3.61 10.16 -29.2 1 2 1 17 239.342 2
Mid Mid (pH 6-8) 3.61 9.83 -5.2 0 2 0 16 238.334 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0623620A1; EP0623620B1 IBM Patent Data

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