UCSF

ZINC84330177

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2013 12 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) 0.08 0.45 -35.57 3 3 1 50 165.216 1
Hi High (pH 8-9.5) 0.08 -0.94 -5.89 2 3 0 45 164.208 1

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

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