UCSF

ZINC42308869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 No

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) 2.57 8.8 -36.37 1 1 1 4 230.784 6
Hi High (pH 8-9.5) 2.57 6.46 -2.71 0 1 0 3 229.776 6

Activity (Go SEA)

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