UCSF

ZINC49611688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 34 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) 3.83 12.92 -14.1 1 5 0 62 449.554 5
Lo Low (pH 4.5-6) 3.83 13.39 -44.17 2 5 1 64 450.562 5

Activity (Go SEA)

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