UCSF

ZINC65585460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 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) 2.39 5.18 -9.92 1 6 0 85 270.244 3
Mid Mid (pH 6-8) 2.85 3.18 -46.65 0 6 -1 88 269.236 3

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

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