UCSF

ZINC43417561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) -0.20 -0.58 -44.02 4 4 1 60 219.349 10
Hi High (pH 8-9.5) -0.20 1.01 -32.93 4 4 1 60 219.349 10

Activity (Go SEA)

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