UCSF

ZINC26895012

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 9 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) -1.56 -2.89 -35.91 4 4 0 80 130.147 1
Hi High (pH 8-9.5) -1.56 -1.98 -41.97 3 4 -1 78 129.139 1
Mid Mid (pH 6-8) -1.56 -1.73 -54.46 4 4 0 83 130.147 1
Mid Mid (pH 6-8) -1.56 -1.46 -83.05 5 4 1 84 131.155 1

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

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