UCSF

ZINC59073982

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 20 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) 6.39 11.68 -3.3 0 2 0 12 277.452 11
Lo Low (pH 4.5-6) 6.39 11.75 -18.9 1 2 0 14 278.46 11

Activity (Go SEA)

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