UCSF

ZINC43426069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.38 5.47 -8.23 1 4 0 46 284.359 2
Mid Mid (pH 6-8) 2.38 5.9 -24.6 2 4 1 47 285.367 2

Activity (Go SEA)

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