UCSF

ZINC43898086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 2.32 4.57 -35.9 2 3 1 29 229.388 5
Lo Low (pH 4.5-6) 2.32 6.25 -107.76 3 3 2 30 230.396 5

Activity (Go SEA)

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