UCSF

ZINC29225415

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 18 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) 2.42 7.73 -38.66 1 3 1 23 250.362 4
Hi High (pH 8-9.5) 2.42 5.47 -6.41 0 3 0 22 249.354 4

Activity (Go SEA)

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