UCSF

ZINC71499442

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -0.24 2.11 -86.33 4 3 2 35 185.315 1
Hi High (pH 8-9.5) -0.24 -0.25 -42.97 3 3 1 34 184.307 1

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

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