UCSF

ZINC39341557

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.22 14.25 -14.54 1 6 0 82 447.616 19
Mid Mid (pH 6-8) 5.22 15.3 -53.03 2 6 1 86 448.624 19

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4262128; US4486443 IBM Patent Data

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