UCSF

ZINC06499925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 21 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) 0.72 2.79 -44.09 3 5 1 63 290.339 0
Hi High (pH 8-9.5) 0.72 0.58 -9.39 2 5 0 62 289.331 0

Activity (Go SEA)

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