UCSF

ZINC54764728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 19 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) -0.81 2.14 -52.17 5 7 1 108 258.261 3
Mid Mid (pH 6-8) -0.81 1.66 -16.08 4 7 0 106 257.253 3

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

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