UCSF

ZINC54765137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 14 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) -0.65 2.13 -38.13 3 5 1 64 198.246 4
Mid Mid (pH 6-8) -0.65 0.76 -9.03 2 5 0 59 197.238 4
Mid Mid (pH 6-8) -0.65 1.25 -34.31 3 5 1 60 198.246 4

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

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