UCSF

ZINC49238139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 1.55 1.32 -47.17 3 7 -1 112 312.4 5
Mid Mid (pH 6-8) 2.48 1.98 -16.09 4 7 0 113 313.408 4
Mid Mid (pH 6-8) 2.48 2.46 -35.99 5 7 1 114 314.416 4
Mid Mid (pH 6-8) 1.55 1.81 -44.78 4 7 0 113 313.408 5

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

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