UCSF

ZINC43710128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.85 1.9 -57.44 4 6 1 89 278.332 4
Hi High (pH 8-9.5) -0.85 0.54 -14.93 3 6 0 85 277.324 4

Activity (Go SEA)

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