UCSF

ZINC43708479

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.25 5.38 -55.36 3 5 1 58 296.366 4
Hi High (pH 8-9.5) 1.25 4.03 -9.7 2 5 0 54 295.358 4

Activity (Go SEA)

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