UCSF

ZINC05140937

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 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) 3.07 7.75 -45.16 2 2 1 29 261.776 5
Lo Low (pH 4.5-6) 3.07 8.03 -99.72 3 2 2 31 262.784 5

Activity (Go SEA)

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