UCSF

ZINC43426255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.37 5.63 -14.28 1 4 0 45 284.359 3
Lo Low (pH 4.5-6) 2.37 7.65 -44.67 2 4 1 47 285.367 3

Activity (Go SEA)

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