UCSF

ZINC40106467

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 No

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) 3.89 10.96 -44.84 2 4 1 37 372.439 4
Mid Mid (pH 6-8) 3.89 8.61 -11.25 1 4 0 36 371.431 4

Activity (Go SEA)

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