UCSF

ZINC41816935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) -0.39 5.56 -11.33 0 6 0 60 258.281 2
Lo Low (pH 4.5-6) -0.39 6.11 -38.85 1 6 1 62 259.289 2

Activity (Go SEA)

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