UCSF

ZINC43605139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 15 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) 0.00 4.58 -94.34 3 4 2 41 213.325 3
Mid Mid (pH 6-8) 0.00 2.46 -44.57 2 4 1 40 212.317 3

Activity (Go SEA)

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