UCSF

ZINC39555836

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 26 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) 2.14 8.39 -17.39 1 6 0 73 349.438 3
Lo Low (pH 4.5-6) 2.14 8.56 -48.07 2 6 1 74 350.446 3

Activity (Go SEA)

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