UCSF

ZINC65508468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 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) 2.79 5.67 -103.62 5 5 2 67 344.503 7
Hi High (pH 8-9.5) 2.79 3.78 -5.91 3 5 0 64 342.487 7
Hi High (pH 8-9.5) 2.79 3.27 -28.54 4 5 1 65 343.495 7
Mid Mid (pH 6-8) 2.79 5.12 -36.51 4 5 1 65 343.495 7

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

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