UCSF

ZINC20468160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) -0.44 1.11 -37.08 2 5 1 66 209.273 4
Mid Mid (pH 6-8) -0.44 1 -14.42 1 5 0 65 208.265 4

Activity (Go SEA)

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