UCSF

ZINC54745484

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 No

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) -1.51 -0.78 -71.44 2 8 1 104 276.342 6
Mid Mid (pH 6-8) -1.51 -2.12 -21.08 1 8 0 99 275.334 6

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

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