UCSF

ZINC62980262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 18 Yes

Popular Name: 1-[(3R)-1-[[(3R)-3-piperidyl]methyl]pyrrolidin-3-yl]piperidine 1-[(3R)-1-[[(3R)-3-piperidyl]met…

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) 1.61 6.42 -81.3 3 3 2 24 253.434 3 ↓
Hi High (pH 8-9.5) 1.61 4.24 -35.24 2 3 1 23 252.426 3 ↓
Lo Low (pH 4.5-6) 1.61 8.47 -190.19 4 3 3 25 254.442 3 ↓

Activity (Go SEA)

Rings

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