UCSF

ZINC04907361

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 3.21 8.45 -36.41 1 2 1 14 216.304 4
Hi High (pH 8-9.5) 3.21 5.91 -5.61 0 2 0 12 215.296 4

Activity (Go SEA)

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