UCSF

ZINC36878179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) -1.77 0.61 -65.74 4 6 1 104 284.361 5
Hi High (pH 8-9.5) -1.77 0.33 -22.55 3 6 0 102 283.353 5
Mid Mid (pH 6-8) -1.77 0.93 -44.78 4 6 1 103 284.361 5
Mid Mid (pH 6-8) -1.77 1.26 -138.67 5 6 2 105 285.369 5

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

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