UCSF

ZINC20313553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 14 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) -0.54 3.94 -52.55 1 5 1 51 201.246 3
Mid Mid (pH 6-8) -0.54 1.62 -12.16 0 5 0 50 200.238 3

Activity (Go SEA)

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