UCSF

ZINC34451378

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 3.22 6.26 -3.94 0 2 0 18 192.258 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5852021 IBM Patent Data

Activity (Go SEA)

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