UCSF

ZINC05748324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 27 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) 5.65 11.96 -10.03 1 4 0 47 355.441 5
Lo Low (pH 4.5-6) 5.65 12.3 -25.79 2 4 1 48 356.449 5

Activity (Go SEA)

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