UCSF

ZINC52819962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 22 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) 1.98 5.27 -46.74 3 5 1 78 322.816 4
Hi High (pH 8-9.5) 2.16 3.63 -25.58 2 5 0 84 321.808 4

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

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