UCSF

ZINC35123781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 14 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) 1.15 6.77 -40.72 1 3 1 31 214.31 6
Mid Mid (pH 6-8) 1.15 4.45 -5.31 0 3 0 30 213.302 6

Activity (Go SEA)

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