UCSF

ZINC38227331

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 33 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) 3.35 10.84 -56.28 0 8 -1 113 474.555 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998039315A1 IBM Patent Data

Activity (Go SEA)

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