UCSF

ZINC42462105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.74 5.92 -31.45 1 3 1 31 224.372 4
Hi High (pH 8-9.5) 1.74 3.77 -6.19 0 3 0 30 223.364 4

Activity (Go SEA)

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