UCSF

ZINC16857767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 24 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) 1.57 6.39 -17.38 2 6 0 92 330.384 7
Hi High (pH 8-9.5) 2.03 4.29 -57.59 1 6 -1 95 329.376 7

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

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