UCSF

ZINC06757295

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 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) 2.64 7.43 -12.35 2 5 0 66 276.299 1
Mid Mid (pH 6-8) 2.91 6.36 -8.64 1 5 0 57 276.299 1
Mid Mid (pH 6-8) 2.91 5.55 -20.35 0 5 0 59 275.291 1

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

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