UCSF

ZINC19788460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 15 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) 1.87 6.54 -122.16 3 2 2 21 224.735 0
Hi High (pH 8-9.5) 1.87 2.96 -3.47 1 2 0 15 222.719 0
Mid Mid (pH 6-8) 1.87 4.35 -43.68 2 2 1 20 223.727 0

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

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