UCSF

ZINC49413242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 25 Yes

Popular Name: 3-(4-acetylpiperazin-1-yl)-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one 3-(4-acetylpiperazin-1-yl)-1-[4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.10 4.38 -14.55 0 6 0 47 364.515 5 ↓
Mid Mid (pH 6-8) 0.10 6.59 -54.24 1 6 1 48 365.523 5 ↓
Mid Mid (pH 6-8) 0.10 6.54 -58.19 1 6 1 48 365.523 5 ↓
Lo Low (pH 4.5-6) 0.10 8.8 -112.56 2 6 2 49 366.531 5 ↓

Activity (Go SEA)

Rings

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