UCSF

ZINC41055021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 25 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) 5.32 9.33 -12.67 1 4 0 51 346.308 5
Lo Low (pH 4.5-6) 5.32 9.72 -26.96 2 4 1 52 347.316 5

Activity (Go SEA)

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