UCSF

ZINC65564706

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 28 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) 2.30 6.25 -10.65 1 8 0 84 410.54 5
Mid Mid (pH 6-8) 2.30 8.17 -52.04 2 8 1 85 411.548 5

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

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