UCSF

ZINC21538064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 No

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) 0.55 4.96 -27.54 3 10 0 134 436.49 8
Hi High (pH 8-9.5) 0.73 4.19 -61.78 2 10 -1 140 435.482 8

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

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