UCSF

ZINC29239245

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 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) 1.26 5.72 -63.09 2 5 1 60 330.404 1
Hi High (pH 8-9.5) 1.26 3.42 -12.87 1 5 0 59 329.396 1

Activity (Go SEA)

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