UCSF

ZINC23361632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 22 No

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) 3.46 9.02 -23.94 1 7 0 101 340.792 6
Mid Mid (pH 6-8) 3.53 7.93 -50.73 0 7 -1 107 339.784 6

Activity (Go SEA)

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