UCSF

ZINC19405181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 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) -0.06 1.04 -103.37 5 3 2 52 162.277 6
Mid Mid (pH 6-8) -0.06 0.45 -30.48 4 3 1 51 161.269 6

Activity (Go SEA)

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