UCSF

ZINC38339085

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 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) -2.60 -5.52 -19.89 6 9 0 138 257.25 5
Mid Mid (pH 6-8) -2.60 -3.94 -43.2 7 9 1 140 258.258 5

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

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