UCSF

ZINC39891630

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.68 1.39 -45.28 0 6 -1 77 249.341 5
Lo Low (pH 4.5-6) 0.68 1.45 -10.88 1 6 0 75 250.349 5

Activity (Go SEA)

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