UCSF

ZINC49917718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 43 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) 5.92 17.44 -61.22 3 6 1 68 574.745 11
Hi High (pH 8-9.5) 5.92 15.32 -18.03 2 6 0 67 573.737 11

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

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