UCSF

ZINC43410633

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.54 2.94 -8.36 4 6 0 95 278.356 5
Mid Mid (pH 6-8) 0.54 3.42 -25.66 5 6 1 96 279.364 5

Activity (Go SEA)

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