UCSF

ZINC67562677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 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) 0.02 4.99 -63.41 4 8 1 105 332.432 5
Hi High (pH 8-9.5) 0.02 3.85 -14.12 3 8 0 101 331.424 5
Lo Low (pH 4.5-6) 0.02 5.7 -100.49 5 8 2 106 333.44 5

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

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