UCSF

ZINC59383568

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 13 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) 1.78 2.27 -4.85 1 2 0 23 179.263 2
Mid Mid (pH 6-8) 1.78 4.76 -36.35 2 2 1 25 180.271 2

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

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