UCSF

ZINC36642071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 33 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) 5.78 14.39 -36.83 1 5 1 47 458.607 7
Hi High (pH 8-9.5) 5.78 12.32 -12.28 0 5 0 46 457.599 7

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

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