UCSF

ZINC48872476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 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) 0.56 2.64 -8.56 1 6 0 80 211.25 4
Hi High (pH 8-9.5) 0.56 2.45 -40.42 0 6 -1 79 210.242 4

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

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