UCSF

ZINC67742089

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 2-(2-dimethylaminoethyl)-4-ethyl-5-[(3R)-1-(2-pyridylmethyl)-3-piperidyl]-1,2,4-triazol-3-one 2-(2-dimethylaminoethyl)-4-ethyl…

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) 0.31 8.94 -39.85 1 7 1 60 359.498 7 ↓
Hi High (pH 8-9.5) 0.31 6.48 -11.38 0 7 0 59 358.49 7 ↓
Mid Mid (pH 6-8) 0.31 11.21 -93.26 2 7 2 62 360.506 7 ↓

Activity (Go SEA)

Rings

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

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