UCSF

ZINC04877825

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 24 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) 3.48 7.98 -17.01 2 5 0 71 346.362 5
Hi High (pH 8-9.5) 3.48 7.78 -52.76 1 5 -1 69 345.354 5

Activity (Go SEA)

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