UCSF

ZINC34687008

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 20 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) 2.46 2.53 -6.54 1 4 0 42 279.38 5
Lo Low (pH 4.5-6) 2.46 4.69 -38.12 2 4 1 43 280.388 5

Activity (Go SEA)

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