UCSF

ZINC02576768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.55 -1.81 -13.59 2 6 0 99 199.191 1

Vendor Notes

Note Type Comments Provided By
BP 157-159° Oakwood Chemical

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

No pre-computed analogs available. Try a structural similarity search.