UCSF

ZINC06564551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 25 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) 5.86 12.75 -14.65 1 4 0 53 326.403 4
Lo Low (pH 4.5-6) 5.86 13.15 -28.31 2 4 1 54 327.411 4

Activity (Go SEA)

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