UCSF

ZINC52541903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 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) 3.77 8.37 -28.51 2 2 1 20 295.516 8
Hi High (pH 8-9.5) 3.77 8.51 -28.85 2 2 1 16 295.516 8
Mid Mid (pH 6-8) 3.77 10.35 -107.73 3 2 2 21 296.524 8

Activity (Go SEA)

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