UCSF

ZINC65315350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 31 Yes

Popular Name: [4-(1-methyl-4-piperidyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)-3-piperidyl]met [4-(1-methyl-4-piperidyl)piperaz…

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) 2.69 11.26 -87.86 2 6 2 45 443.661 3 ↓
Hi High (pH 8-9.5) 2.69 10.79 -42.57 1 6 1 44 442.653 3 ↓
Lo Low (pH 4.5-6) 2.69 13.41 -180.92 3 6 3 47 444.669 3 ↓

Activity (Go SEA)

Rings

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

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