UCSF

ZINC16886484

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 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) 0.23 -1.91 -31.39 4 6 1 103 224.269 2
Hi High (pH 8-9.5) 0.23 -1.89 -11.43 3 6 0 102 223.261 2

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

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