UCSF

ZINC21634264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 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) 2.81 3.19 -69.88 2 8 1 89 442.876 5
Mid Mid (pH 6-8) 2.81 4.05 -22 1 8 0 88 441.868 5

Activity (Go SEA)

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