UCSF

ZINC43405742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.92 4.29 -38.77 4 5 1 76 273.36 2
Mid Mid (pH 6-8) 0.92 4.67 -90.05 5 5 2 77 274.368 2

Activity (Go SEA)

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