UCSF

ZINC43409278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.60 3.69 -37.79 4 5 1 76 261.349 2
Hi High (pH 8-9.5) 0.60 2.37 -10.54 3 5 0 71 260.341 2
Lo Low (pH 4.5-6) 0.60 4.1 -88.79 5 5 2 77 262.357 2

Activity (Go SEA)

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