UCSF

ZINC43287322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 2.67 4.79 -50.12 3 3 1 55 331.303 6
Hi High (pH 8-9.5) 2.67 4.47 -5.39 2 3 0 53 330.295 6

Activity (Go SEA)

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