UCSF

ZINC43707995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -0.89 2.78 -98.97 4 5 2 59 229.324 2
Hi High (pH 8-9.5) -0.89 1.42 -43.65 3 5 1 55 228.316 2

Activity (Go SEA)

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