UCSF

ZINC52955830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 45 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) 4.91 16.33 -112.84 3 8 2 88 633.903 12
Hi High (pH 8-9.5) 4.91 14.08 -52.43 2 8 1 87 632.895 12

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

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