UCSF

ZINC20264463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 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) 2.77 7.85 -134.37 4 3 2 45 325.25 5
Hi High (pH 8-9.5) 2.77 5.51 -3.02 2 3 0 42 323.234 5
Mid Mid (pH 6-8) 2.77 5.93 -50.48 3 3 1 44 324.242 5

Activity (Go SEA)

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