UCSF

ZINC20123530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 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) 5.26 14.1 -110.09 2 7 0 111 457.939 6
Mid Mid (pH 6-8) 5.26 12.05 -84.52 1 7 -1 110 456.931 6
Mid Mid (pH 6-8) 5.26 12.94 -92.44 1 7 -1 110 456.931 6

Activity (Go SEA)

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