UCSF

ZINC53639800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) -0.28 3.41 -47.26 2 8 1 99 311.362 6
Mid Mid (pH 6-8) -0.28 1.18 -12.19 1 8 0 98 310.354 6

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

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