UCSF

ZINC57983756

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 22 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) 2.83 6.65 -50.05 3 6 1 63 343.238 5
Hi High (pH 8-9.5) 2.83 4.18 -15.01 2 6 0 62 342.23 5

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

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