UCSF

ZINC06456861

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 31 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) 5.55 11.96 -12.75 1 4 0 55 422.406 6
Lo Low (pH 4.5-6) 5.55 12.24 -40.46 2 4 1 56 423.414 6

Activity (Go SEA)

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