UCSF

ZINC06442086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 33 No

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) -0.80 11.46 -26.99 3 8 1 106 443.531 4
Lo Low (pH 4.5-6) -0.80 11.89 -73.95 4 8 2 108 444.539 4

Activity (Go SEA)

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