UCSF

ZINC52815780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.12 2.72 -12.56 3 7 0 101 272.312 6
Mid Mid (pH 6-8) -0.12 2.89 -44.55 4 7 1 102 273.32 6
Mid Mid (pH 6-8) -0.12 2.62 -37.38 4 7 1 102 273.32 6

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

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