UCSF

ZINC48945839

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 2.42 8.68 -39.09 1 4 1 26 285.843 3
Hi High (pH 8-9.5) 2.42 6.63 -4.37 0 4 0 24 284.835 3
Lo Low (pH 4.5-6) 2.42 8.81 -83.74 2 4 2 27 286.851 3

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

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