UCSF

ZINC43396821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.86 7.58 -9.58 2 3 0 42 277.437 3
Mid Mid (pH 6-8) 2.86 8.01 -34.46 3 3 1 43 278.445 3

Activity (Go SEA)

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