UCSF

ZINC34682274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.17 8.5 -45.79 3 7 1 79 413.542 9
Lo Low (pH 4.5-6) 2.17 8.85 -99.66 4 7 2 80 414.55 9

Activity (Go SEA)

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