UCSF

ZINC43805678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 19 Yes

Popular Name: (3S,4R)-N-propyl-3-(4-propylpiperazin-1-yl)tetrahydropyran-4-amine (3S,4R)-N-propyl-3-(4-propylpipe…

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) 1.87 5.14 -94.4 3 4 2 34 271.449 6 ↓
Hi High (pH 8-9.5) 1.87 2.88 -36.38 2 4 1 32 270.441 6 ↓
Mid Mid (pH 6-8) 1.87 4.87 -115.22 3 4 2 34 271.449 6 ↓

Activity (Go SEA)

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