UCSF

ZINC42447191

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 3.05 7.92 -36.44 1 2 1 17 259.826 4
Hi High (pH 8-9.5) 3.05 5.68 -4.87 0 2 0 16 258.818 4

Activity (Go SEA)

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