UCSF

ZINC55197173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 21 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) 0.48 2.36 -18.06 2 7 0 86 284.323 1
Mid Mid (pH 6-8) 0.48 2.81 -47.91 3 7 1 88 285.331 1
Lo Low (pH 4.5-6) 0.48 3.17 -35.67 3 7 1 88 285.331 1
Lo Low (pH 4.5-6) 0.42 3.46 -54.92 2 7 1 83 285.331 1

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

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