UCSF

ZINC39263592

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 28 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) 2.87 6.77 -20.07 1 6 0 73 395.484 8
Lo Low (pH 4.5-6) 2.87 7.23 -47.7 2 6 1 75 396.492 8

Activity (Go SEA)

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