UCSF

ZINC71509830

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 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) 0.81 3.08 -36.05 2 3 1 33 206.313 2
Hi High (pH 8-9.5) 0.81 1.89 -3.87 1 3 0 28 205.305 2
Lo Low (pH 4.5-6) 0.81 3.55 -82.45 3 3 2 34 207.321 2

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

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