UCSF

ZINC36965065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) 2.31 6.67 -42.45 1 3 -1 42 208.31 2
Mid Mid (pH 6-8) 2.31 6.58 -25.54 2 3 0 43 209.318 2
Lo Low (pH 4.5-6) 1.58 6.68 -10.82 2 3 0 44 209.318 2

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

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