UCSF

ZINC39229669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 2.32 9.24 -13.07 1 7 0 77 402.454 5
Lo Low (pH 4.5-6) 2.32 9.71 -35.55 2 7 1 78 403.462 5

Activity (Go SEA)

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