UCSF

ZINC39763946

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 20 No

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) 1.55 3.08 -7.63 2 5 0 71 354.229 3
Hi High (pH 8-9.5) 1.62 1.39 -50.25 1 5 -1 77 353.221 3
Hi High (pH 8-9.5) 1.74 1.25 -47.76 1 5 -1 77 353.221 3

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

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