UCSF

ZINC63236346

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.89 11.87 -110.09 3 2 2 31 350.55 3
Hi High (pH 8-9.5) 5.89 10.84 -24.81 2 2 1 26 349.542 3

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

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