UCSF

ZINC50906421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 20 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) 3.57 7.51 -12.54 2 4 0 55 292.452 4
Lo Low (pH 4.5-6) 3.57 7.63 -36.76 3 4 1 56 293.46 4
Lo Low (pH 4.5-6) 3.57 7.68 -32.72 3 4 1 56 293.46 4

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

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