UCSF

ZINC52575646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 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) 2.48 7.98 -52.12 3 4 1 59 270.356 3
Hi High (pH 8-9.5) 2.48 7.56 -11.26 2 4 0 57 269.348 3
Mid Mid (pH 6-8) 2.48 8.46 -95.87 4 4 2 60 271.364 3

Activity (Go SEA)

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

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