UCSF

ZINC41733878

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -0.05 7.94 -83.17 4 3 2 37 251.418 5
Hi High (pH 8-9.5) -0.05 7.61 -40.17 3 3 1 35 250.41 5

Activity (Go SEA)

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