UCSF

ZINC65508620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 17 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) 0.55 1.97 -28.76 3 5 1 71 240.327 5
Mid Mid (pH 6-8) 0.55 1.36 -10.98 2 5 0 69 239.319 5

Activity (Go SEA)

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