UCSF

ZINC39277358

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 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) 0.22 2.99 -115.54 4 2 2 32 142.246 1
Mid Mid (pH 6-8) 0.22 2.61 -28.36 3 2 1 30 141.238 1

Activity (Go SEA)

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