UCSF

ZINC62314165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 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) 1.87 0.57 -33.67 1 7 -1 107 324.725 3
Hi High (pH 8-9.5) 2.32 -2.06 -94.63 0 7 -2 110 323.717 3
Lo Low (pH 4.5-6) 1.87 0.57 -14.86 2 7 0 105 325.733 3

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

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