UCSF

ZINC90677481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2013 34 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) 5.29 15.9 -29.51 3 5 0 94 457.57 9
Mid Mid (pH 6-8) 5.29 15.6 -46.45 2 5 -1 92 456.562 9

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

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