UCSF

ZINC36332191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.83 1.53 -17.7 2 5 0 83 283.349 2
Hi High (pH 8-9.5) 1.83 2.53 -61.02 1 5 -1 86 282.341 2

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

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