UCSF

ZINC39957377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 15 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) -0.28 2.85 -41.82 4 6 1 72 209.277 2
Mid Mid (pH 6-8) -0.28 0.49 -6.41 3 6 0 70 208.269 2

Activity (Go SEA)

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