UCSF

ZINC22059472

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 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) 1.92 3.29 -39.76 3 3 1 54 240.298 5
Mid Mid (pH 6-8) 1.92 2.15 -7.09 2 3 0 49 239.29 5

Activity (Go SEA)

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