UCSF

ZINC54698514

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 15 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) -0.26 4.34 -45.6 3 4 1 58 209.317 3
Hi High (pH 8-9.5) -0.26 4.02 -6.4 2 4 0 57 208.309 3

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

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