UCSF

ZINC20899029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 0.96 4.73 -50.51 1 10 -1 118 447.493 5
Lo Low (pH 4.5-6) 0.50 5.78 -20.32 2 10 0 115 448.501 5

Activity (Go SEA)

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