UCSF

ZINC26157390

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 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) 1.62 3.41 -34.39 4 3 1 60 207.297 5
Mid Mid (pH 6-8) 1.62 2.39 -6.37 3 3 0 55 206.289 5

Activity (Go SEA)

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