UCSF

ZINC38785093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 2.62 7.32 -103.75 4 2 2 32 272.795 3
Mid Mid (pH 6-8) 2.62 6.97 -26.46 3 2 1 30 271.787 3
Mid Mid (pH 6-8) 2.62 5.69 -40.62 3 2 1 31 271.787 3

Activity (Go SEA)

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