UCSF

ZINC17128320

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.74 1.94 -23.02 2 5 0 73 206.23 0
Lo Low (pH 4.5-6) -0.06 0.85 -30.31 3 5 1 76 207.238 0

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

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