UCSF

ZINC39229769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 4.52 13.77 -10.9 1 4 0 45 425.454 6
Lo Low (pH 4.5-6) 4.52 14.22 -34.65 2 4 1 46 426.462 6

Activity (Go SEA)

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