UCSF

ZINC18221767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 20 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) 0.01 3.22 -50.72 1 8 -1 114 294.316 5
Hi High (pH 8-9.5) 0.20 4.55 -21.27 2 8 0 108 295.324 5

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

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