UCSF

ZINC79630789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2012 25 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) 2.63 5.77 -51.97 1 8 -1 114 347.299 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4486179 IBM Patent Data

Activity (Go SEA)

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