UCSF

ZINC43409669

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.66 8.15 -103.95 4 3 2 45 289.448 4
Hi High (pH 8-9.5) 2.66 7.73 -50.23 3 3 1 44 288.44 4

Activity (Go SEA)

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