UCSF

ZINC20198539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 0.15 0.83 -37.64 3 4 1 46 217.333 7
Lo Low (pH 4.5-6) 0.15 2.19 -101.15 4 4 2 51 218.341 7
Lo Low (pH 4.5-6) 0.15 -0.17 -38.49 3 4 1 49 217.333 7

Activity (Go SEA)

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