UCSF

ZINC47655238

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 24 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) 2.71 3.77 -14.96 2 6 0 85 348.424 7
Mid Mid (pH 6-8) 2.71 3.8 -47.64 1 6 -1 87 347.416 7

Activity (Go SEA)

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