UCSF

ZINC43410656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.53 2.77 -8.33 4 6 0 95 290.367 5
Mid Mid (pH 6-8) 0.53 3.19 -26.73 5 6 1 96 291.375 5

Activity (Go SEA)

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