UCSF

ZINC22173221

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 2.27 4.12 -46.16 3 3 1 44 237.367 5
Mid Mid (pH 6-8) 2.27 6.17 -120.73 4 3 2 45 238.375 5
Mid Mid (pH 6-8) 2.27 6.09 -26.77 3 3 1 44 237.367 5

Activity (Go SEA)

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