UCSF

ZINC06096054

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) 2.72 5.31 -6.54 2 3 0 51 269.735 1
Lo Low (pH 4.5-6) 2.85 5.51 -33.54 3 3 1 50 270.743 1

Activity (Go SEA)

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