UCSF

ZINC05887689

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 3.89 6.72 -8.63 2 5 0 70 353.875 7
Lo Low (pH 4.5-6) 3.89 7.39 -30.25 3 5 1 71 354.883 7

Activity (Go SEA)

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