UCSF

ZINC33754278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 Yes

Popular Name: LS-137635; Pyrrolidine, 1,1'-((dimethylvinylene)bis(p-phenyleneoxy))di-, dihydrochloride, (E)-; trans-1,1'-((Dimethylvinylene)bis(p-phenyleneoxy))dipyrrolidine dihydrochloride LS-137635; Pyrrolidine, 1,1'-((d…

Find On: PubMed — Wikipedia — Google

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) 5.24 16.35 -73.8 2 4 2 27 436.64 10 ↓
Hi High (pH 8-9.5) 5.24 13.92 -35.9 1 4 1 26 435.632 10 ↓
Hi High (pH 8-9.5) 5.24 11.41 -5.32 0 4 0 25 434.624 10 ↓

Activity (Go SEA)

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