UCSF

ZINC63102146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 0.35 5.17 -62.64 3 4 1 71 245.302 1
Hi High (pH 8-9.5) 0.35 4.18 -38.54 2 4 0 66 244.294 1

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

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