UCSF

ZINC62980261

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 Yes

Popular Name: 4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]piperidine 4-[[(3S)-3-pyrrolidin-1-ylpyrrol…

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) 1.10 5.69 -78.55 3 3 2 24 239.407 3 ↓
Hi High (pH 8-9.5) 1.10 3.31 -36.82 2 3 1 23 238.399 3 ↓
Lo Low (pH 4.5-6) 1.10 7.89 -178.33 4 3 3 25 240.415 3 ↓

Activity (Go SEA)

Rings

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