UCSF

ZINC67740853

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 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) -0.78 -0.82 -73.12 5 8 1 127 365.435 3
Mid Mid (pH 6-8) -0.78 -1.11 -22.35 4 8 0 125 364.427 3

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

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