UCSF

ZINC22174980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 2.68 3.98 -47.14 3 3 1 44 290.225 7
Mid Mid (pH 6-8) 2.68 6.2 -124.18 4 3 2 45 291.233 7
Mid Mid (pH 6-8) 2.68 6.14 -28.83 3 3 1 44 290.225 7

Activity (Go SEA)

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