UCSF

ZINC45736571

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 24 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) 2.29 6.81 -43.55 2 5 1 46 352.886 8
Mid Mid (pH 6-8) 2.29 6.83 -43.7 2 5 1 46 352.886 8
Mid Mid (pH 6-8) 2.29 4.57 -11.67 1 5 0 45 351.878 8

Activity (Go SEA)

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