UCSF

ZINC49376042

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 Yes

Popular Name: N-[2-(cyclopropanecarbonylamino)ethyl]-1-prop-2-ynyl-piperidine-4-carboxamide N-[2-(cyclopropanecarbonylamino)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 0.36 2.54 -13.36 2 5 0 61 277.368 6 ↓
Mid Mid (pH 6-8) 0.36 4.82 -47.37 3 5 1 63 278.376 6 ↓
Lo Low (pH 4.5-6) 0.73 -0.56 -40.15 3 5 1 70 278.376 6 ↓

Activity (Go SEA)

Rings

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