UCSF

ZINC49871937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 20 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) 1.56 1.12 -18.38 4 6 0 105 277.324 4
Hi High (pH 8-9.5) 1.56 1.27 -30.78 3 6 -1 101 276.316 4
Hi High (pH 8-9.5) 1.56 0.92 -29.87 3 6 -1 101 276.316 4
Mid Mid (pH 6-8) 1.56 1.44 -17.74 4 6 0 105 277.324 4

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

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