UCSF

ZINC49331881

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 17 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) 0.79 4.36 -43.98 2 5 1 56 258.367 7
Mid Mid (pH 6-8) 0.97 2.89 -35.57 1 5 0 62 257.359 7

Activity (Go SEA)

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