UCSF

ZINC43423622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.46 3.83 -4.66 2 4 0 48 276.38 5
Mid Mid (pH 6-8) 2.46 5.93 -39.12 3 4 1 49 277.388 5

Activity (Go SEA)

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