UCSF

ZINC52905108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 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) 1.19 5.41 -37.15 4 5 1 66 295.794 3
Hi High (pH 8-9.5) 1.19 3.23 -6.22 3 5 0 65 294.786 3
Lo Low (pH 4.5-6) 1.19 5.45 -87.2 5 5 2 68 296.802 3

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

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