UCSF

ZINC43426286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.25 4.69 -10.19 0 4 0 39 275.348 4
Lo Low (pH 4.5-6) 2.25 6.88 -40.64 1 4 1 40 276.356 4

Activity (Go SEA)

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