UCSF

ZINC43122183

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 38 No

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) 2.65 5.94 -24.2 3 8 0 104 552.619 10
Mid Mid (pH 6-8) 2.65 7.29 -74.02 4 8 1 108 553.627 10

Activity (Go SEA)

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