UCSF

ZINC20244664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) -3.80 0.2 -60.32 2 8 -1 126 270.246 2
Hi High (pH 8-9.5) -3.34 -1.59 -107.72 1 8 -2 129 269.238 2
Mid Mid (pH 6-8) -3.34 -0.93 -97.27 1 8 -2 129 269.238 2

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

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