UCSF

ZINC15848221

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 28 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) -0.96 3.76 -62.43 3 11 -1 159 426.456 7
Lo Low (pH 4.5-6) -0.96 3.86 -68.92 4 11 0 161 427.464 7

Activity (Go SEA)

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