UCSF

ZINC25453225

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 2.72 9.23 -21.1 1 6 0 75 363.417 5
Lo Low (pH 4.5-6) 2.72 9.67 -54.78 2 6 1 77 364.425 5

Activity (Go SEA)

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