UCSF

ZINC22461806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 26 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) 3.46 7.68 -49.92 2 4 1 37 379.883 7
Mid Mid (pH 6-8) 3.46 5.36 -10.17 1 4 0 36 378.875 7

Activity (Go SEA)

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