UCSF

ZINC20217608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) -0.38 3 -42.82 4 6 1 79 250.326 2
Hi High (pH 8-9.5) -0.38 0.96 -8.83 3 6 0 78 249.318 2
Lo Low (pH 4.5-6) -0.38 3.23 -102.36 5 6 2 80 251.334 2

Activity (Go SEA)

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