UCSF

ZINC43447352

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 1.77 6.17 -8.59 0 4 0 53 226.32 9
Mid Mid (pH 6-8) 1.77 8.08 -46.61 1 4 1 55 227.328 9

Activity (Go SEA)

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