UCSF

ZINC69078356

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: 1-[[(2S)-1-[[(2S)-tetrahydropyran-2-yl]methyl]pyrrolidin-2-yl]methyl]piperidine 1-[[(2S)-1-[[(2S)-tetrahydropyra…

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) 2.55 6.79 -34.22 1 3 1 17 267.437 4 ↓
Mid Mid (pH 6-8) 2.55 9.19 -104.05 2 3 2 18 268.445 4 ↓

Activity (Go SEA)

Rings

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