UCSF

ZINC55078453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.03 5.83 -182.02 5 4 3 40 285.5 5
Hi High (pH 8-9.5) 1.03 3.85 -105.81 4 4 2 39 284.492 5
Hi High (pH 8-9.5) 1.03 5.1 -82.24 4 4 2 38 284.492 5
Hi High (pH 8-9.5) 1.03 3.18 -34.58 3 4 1 37 283.484 5

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

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