UCSF

ZINC52382824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 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) 1.84 5.52 -40.07 2 3 1 33 294.469 5
Hi High (pH 8-9.5) 1.84 4.15 -6.56 1 3 0 28 293.461 5
Lo Low (pH 4.5-6) 1.84 7.72 -94.64 3 3 2 34 295.477 5

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

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