UCSF

ZINC35200002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 21 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) -0.77 -0.67 -52.89 1 8 -1 106 316.359 5
Lo Low (pH 4.5-6) -0.77 1.62 -69.71 2 8 0 107 317.367 5

Activity (Go SEA)

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