UCSF

ZINC49568234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 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) 0.61 4.35 -108.17 4 4 2 50 225.336 4
Hi High (pH 8-9.5) 0.61 3.34 -37.31 3 4 1 46 224.328 4
Hi High (pH 8-9.5) 0.61 1.77 -42.2 3 4 1 49 224.328 4
Hi High (pH 8-9.5) 0.61 0.76 -6.69 2 4 0 44 223.32 4

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

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