UCSF

ZINC40769029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 2.17 5.95 -39.33 3 4 0 34 297.487 5
Hi High (pH 8-9.5) 2.17 5.01 -1.82 2 4 0 29 296.479 5
Lo Low (pH 4.5-6) 2.17 8.2 -15.6 4 4 0 35 298.495 5

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

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