UCSF

ZINC85588270

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2013 54 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) 9.62 28.77 -73.83 3 11 -1 179 791.081 44
Hi High (pH 8-9.5) 9.62 28.42 -108.91 2 11 -2 177 790.073 44

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

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