UCSF

ZINC20530714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) -0.14 1.05 -58.45 1 6 -1 86 260.273 3
Mid Mid (pH 6-8) -0.14 2.21 -28.84 2 6 0 87 261.281 3
Lo Low (pH 4.5-6) -0.14 1.5 -52.33 3 6 1 85 262.289 3

Activity (Go SEA)

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

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