UCSF

ZINC37872074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 2.08 1.53 -5.12 2 4 0 45 284.787 5
Mid Mid (pH 6-8) 2.08 3.8 -40.9 3 4 1 46 285.795 5

Activity (Go SEA)

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