UCSF

ZINC40911178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 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) -0.49 6.11 -36.75 1 7 -1 122 248.218 4
Lo Low (pH 4.5-6) -0.49 4.26 -9.26 2 7 0 119 249.226 4

Activity (Go SEA)

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