UCSF

ZINC33445837

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 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) 2.69 9.75 -58.86 0 8 -1 109 457.462 8
Lo Low (pH 4.5-6) 2.69 8.45 -26.34 1 8 0 106 458.47 8
Lo Low (pH 4.5-6) 2.69 8.9 -57.36 2 8 1 107 459.478 8

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

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