UCSF

ZINC39272866

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.61 0.42 -39.17 1 9 -1 111 373.78 5
Mid Mid (pH 6-8) 0.61 0.92 -13.59 2 9 0 109 374.788 4

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

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