UCSF

ZINC33754539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 25 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) 4.97 13.8 -44.61 0 4 -1 66 339.411 10
Lo Low (pH 4.5-6) 4.97 11.82 -8.07 1 4 0 64 340.419 10

Activity (Go SEA)

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