UCSF

ZINC19396290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 2.28 6.76 -122.64 4 2 2 32 226.339 6
Mid Mid (pH 6-8) 2.28 4.81 -43.46 3 2 1 31 225.331 6

Activity (Go SEA)

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