UCSF

ZINC21715326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 4.78 12.74 -94.82 3 5 1 71 410.925 6
Mid Mid (pH 6-8) 4.78 12.31 -72.74 2 5 0 69 409.917 6

Activity (Go SEA)

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