UCSF

ZINC49403066

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) 1.73 5.46 -38.16 2 4 1 45 281.763 2
Hi High (pH 8-9.5) 1.73 4.03 -46.72 0 4 -1 47 279.747 2
Mid Mid (pH 6-8) 1.73 3.27 -8.75 1 4 0 44 280.755 2

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

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