UCSF

ZINC12641887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 19 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) 1.82 8.44 -14.77 0 7 0 89 277.309 5
Lo Low (pH 4.5-6) 1.82 8.65 -32.79 1 7 1 91 278.317 5

Activity (Go SEA)

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