UCSF

ZINC60678553

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 18 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) 2.82 8.2 -8.64 0 3 0 24 248.37 5
Lo Low (pH 4.5-6) 2.82 8.96 -22.64 1 3 0 25 249.378 5

Activity (Go SEA)

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