UCSF

ZINC69475630

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 No

Popular Name: 1-oxido-N-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]pyridin-1-ium-4-carboxamide 1-oxido-N-[(2S)-2-pyrrolidin-1-y…

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) 0.56 7.42 -58.13 2 5 1 59 318.422 5 ↓
Mid Mid (pH 6-8) 0.56 5.01 -20 1 5 0 58 317.414 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.