UCSF

ZINC05249769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 26 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) 4.20 10.56 -8.79 0 4 0 52 363.8 4
Lo Low (pH 4.5-6) 4.20 10.85 -39.38 1 4 1 54 364.808 4

Activity (Go SEA)

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