UCSF

ZINC37225687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) -2.13 -3.44 -45.45 0 7 -1 95 198.158 2
Mid Mid (pH 6-8) -2.59 -0.74 -13.65 1 7 0 92 199.166 2

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

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