UCSF

ZINC52661073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 21 Yes

Popular Name: (2S)-2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]-N-propyl-propanamide (2S)-2-[4-[2-(isopropylamino)-2-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.83 0.49 -14.25 2 6 0 65 298.431 7 ↓
Lo Low (pH 4.5-6) 0.83 2.67 -41.52 3 6 1 66 299.439 7 ↓
Lo Low (pH 4.5-6) 0.83 2.73 -35.79 3 6 1 66 299.439 7 ↓

Activity (Go SEA)

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