UCSF

ZINC12654420

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 17 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) 0.54 1.54 -116.54 1 7 -2 122 234.167 3
Mid Mid (pH 6-8) 0.54 0.42 -93.79 2 7 -1 123 235.175 3

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

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