UCSF

ZINC60677284

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 17 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) 1.72 5.56 -8.71 0 3 0 24 250.367 3
Lo Low (pH 4.5-6) 1.72 7.77 -45.07 1 3 1 25 251.375 3

Activity (Go SEA)

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