UCSF

ZINC39956592

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 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 7.13 -10.05 1 6 0 84 258.281 5
Lo Low (pH 4.5-6) 1.82 7.48 -36.2 2 6 1 85 259.289 5

Activity (Go SEA)

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