UCSF

ZINC43700274

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -0.72 5.46 -45.64 3 4 0 71 214.309 5
Mid Mid (pH 6-8) -0.72 4.18 -32.67 3 4 0 71 214.309 5
Mid Mid (pH 6-8) -0.72 5.78 -83.22 4 4 1 72 215.317 5

Activity (Go SEA)

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