UCSF

ZINC06247491

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 2.15 2.29 -12.62 1 7 0 84 355.423 6
Lo Low (pH 4.5-6) 2.15 3.04 -90.72 2 7 0 85 356.431 6

Activity (Go SEA)

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