UCSF

ZINC67562235

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 18 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) 0.34 3.91 -34.95 3 6 1 72 241.278 1
Hi High (pH 8-9.5) 0.34 3.45 -16.12 2 6 0 71 240.27 1
Mid Mid (pH 6-8) 0.34 4.76 -45.39 3 6 1 75 241.278 1

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

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