UCSF

ZINC20054225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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 6.04 -110.23 3 3 2 30 214.353 5
Mid Mid (pH 6-8) 0.92 3.85 -33.4 2 3 1 29 213.345 5
Mid Mid (pH 6-8) 0.92 4.61 -30.86 2 3 1 26 213.345 5

Activity (Go SEA)

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