UCSF

ZINC22173881

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.67 5.34 -92.46 4 3 2 35 249.402 5
Mid Mid (pH 6-8) 1.67 5.35 -97.21 4 3 2 35 249.402 5
Mid Mid (pH 6-8) 1.67 3.03 -46.11 3 3 1 34 248.394 5

Activity (Go SEA)

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