UCSF

ZINC69055569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 23 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) 3.53 8.72 -41.36 3 6 1 92 320.413 5
Hi High (pH 8-9.5) 3.71 7.16 -32.91 2 6 0 98 319.405 5
Hi High (pH 8-9.5) 3.71 6.28 -44.63 1 6 -1 93 318.397 5

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

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