UCSF

ZINC25043989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 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) 1.02 4.78 -13.47 1 5 0 60 284.315 3
Lo Low (pH 4.5-6) 1.02 5.22 -50.53 2 5 1 62 285.323 3

Activity (Go SEA)

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