UCSF

ZINC06493405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 24 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) 1.82 6.39 -61.61 1 6 -1 87 342.4 4
Mid Mid (pH 6-8) 1.89 5.31 -148.87 0 6 -2 93 341.392 4

Activity (Go SEA)

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