UCSF

ZINC16693868

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 No

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) 2.84 8.44 -23.04 2 9 0 141 404.382 5
Mid Mid (pH 6-8) 2.84 9.22 -38.1 1 9 -1 144 403.374 5

Activity (Go SEA)

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