UCSF

ZINC35253606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 31 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) 4.87 8.56 -14.06 3 6 0 105 437.565 8
Hi High (pH 8-9.5) 5.05 7.02 -45.49 2 6 -1 112 436.557 8

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

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