UCSF

ZINC43916331

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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 4.74 -39.14 2 5 1 48 295.403 9
Mid Mid (pH 6-8) 2.46 5.62 -38.06 2 5 1 44 295.403 9

Activity (Go SEA)

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