UCSF

ZINC52677532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 21 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) 4.54 10.37 -41.1 2 2 1 26 278.375 5
Hi High (pH 8-9.5) 4.54 9.39 -4.62 1 2 0 21 277.367 5

Activity (Go SEA)

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