UCSF

ZINC59546894

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 15 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) -0.12 1.38 -62.43 3 5 0 85 219.281 10
Lo Low (pH 4.5-6) -0.12 -0.6 -38.04 4 5 1 82 220.289 10

Activity (Go SEA)

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