UCSF

ZINC55433428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 24 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) 3.58 8.67 -36.02 2 4 1 50 324.448 2
Hi High (pH 8-9.5) 3.58 6.49 -17.5 1 4 0 48 323.44 2
Lo Low (pH 4.5-6) 3.58 9.66 -88.41 3 4 2 51 325.456 2

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

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