UCSF

ZINC22564285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 18 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) 0.26 5.18 -42.4 3 4 1 49 249.334 3
Mid Mid (pH 6-8) 0.26 5.51 -141.18 4 4 2 51 250.342 3

Activity (Go SEA)

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