UCSF

ZINC43390676

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.07 3.55 -50.08 3 3 1 44 300.81 5
Lo Low (pH 4.5-6) 2.07 5.57 -130.36 4 3 2 45 301.818 5

Activity (Go SEA)

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