UCSF

ZINC15082289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 19 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) 1.72 3.71 -10.21 3 5 0 77 275.333 2
Lo Low (pH 4.5-6) 1.72 3.94 -35.35 4 5 1 78 276.341 2

Activity (Go SEA)

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