UCSF

ZINC38827621

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 18 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) 0.36 1.24 -52.81 3 5 1 59 255.338 6
Mid Mid (pH 6-8) 0.36 3.51 -129.63 4 5 2 60 256.346 6

Activity (Go SEA)

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