UCSF

ZINC57995257

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 26 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) 2.29 9.2 -11.74 1 5 0 62 371.868 8
Lo Low (pH 4.5-6) 2.29 8.93 -36.48 2 5 1 64 372.876 8

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

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