UCSF

ZINC69720402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 15 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) -1.37 -1.35 -42.07 4 5 1 77 212.273 1
Hi High (pH 8-9.5) -1.18 -3.88 -51.09 3 5 0 83 211.265 1

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

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