UCSF

ZINC09421795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 Yes

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) 3.09 -7.34 -14.83 2 7 0 97 425.919 7
Hi High (pH 8-9.5) 3.09 -6.77 -41.07 1 7 -1 99 424.911 7
Lo Low (pH 4.5-6) 4.02 4.25 -14.41 2 7 0 101 425.919 6

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

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