UCSF

ZINC22079855

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 1.68 9.12 -46.3 1 4 1 42 273.356 2
Mid Mid (pH 6-8) 1.68 6.92 -10.66 0 4 0 41 272.348 2

Activity (Go SEA)

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