UCSF

ZINC71520840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 No

Download: MOL2 SDF SMILES Flexibase

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) -0.16 -0.76 -49.69 2 4 1 54 219.33 1
Hi High (pH 8-9.5) -0.16 -2.03 -10.59 1 4 0 49 218.322 1

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

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