UCSF

ZINC33828117

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 24 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) 4.49 7.77 -105.12 6 3 2 60 327.516 3
Hi High (pH 8-9.5) 4.49 6.69 -48.87 5 3 1 55 326.508 3

Activity (Go SEA)

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