UCSF

ZINC02559940

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 2.98 9.84 -57.22 1 5 1 41 340.447 0
Mid Mid (pH 6-8) 2.98 7.69 -13.68 0 5 0 40 339.439 0

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

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