UCSF

ZINC06094132

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 19 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) 2.21 1.66 -44.57 4 3 1 57 260.357 0
Hi High (pH 8-9.5) 2.21 0.37 -4.66 3 3 0 52 259.349 0

Activity (Go SEA)

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