UCSF

ZINC33531531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 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) 3.42 5.69 -45.18 0 6 -1 84 369.784 3
Lo Low (pH 4.5-6) 2.96 7.46 -11.25 1 6 0 81 370.792 3

Activity (Go SEA)

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