UCSF

ZINC57987224

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.86 3.61 -54.77 5 6 1 89 361.8 5
Hi High (pH 8-9.5) 1.86 1.5 -21.25 4 6 0 87 360.792 5

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

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