UCSF

ZINC19508988

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 Yes

Popular Name: (2S)-2-amino-1-(4-methylpiperazin-1-yl)-2-phenyl-ethanone (2S)-2-amino-1-(4-methylpiperazi…

Find On: PubMed — Wikipedia — Google

CAS Number: N/A

Other Names:

MFCD09725727

MFCD12922499

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) -1.33 2.02 -45.32 3 4 1 51 234.323 2 ↓
Mid Mid (pH 6-8) -1.33 1.69 -9.71 2 4 0 50 233.315 2 ↓
Mid Mid (pH 6-8) -1.33 4.08 -45.31 3 4 1 51 234.323 2 ↓

Activity (Go SEA)

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