UCSF

ZINC55063356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 18 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) 0.98 4.12 -101.19 4 5 2 61 251.378 4
Hi High (pH 8-9.5) 0.98 3.72 -36.97 3 5 1 59 250.37 4
Hi High (pH 8-9.5) 0.98 2.03 -4.57 2 5 0 58 249.362 4
Hi High (pH 8-9.5) 0.98 2.37 -44.31 3 5 1 60 250.37 4

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

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