UCSF

ZINC40126228

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 3.28 5.56 -60.93 2 6 -1 99 400.41 6
Lo Low (pH 4.5-6) 3.28 4.79 -18.42 3 6 0 96 401.418 6

Activity (Go SEA)

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