UCSF

ZINC32915179

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 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) 0.74 5.34 -14.29 1 5 0 63 206.249 2
Hi High (pH 8-9.5) 1.20 4.24 -39.57 0 5 -1 66 205.241 2

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

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