UCSF

ZINC37075402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

Popular Name: (2S,4S,5R)-N-[(R)-cyclopropyl(phenyl)methyl]-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-[(R)-cyclopropyl(ph…

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) 3.78 10.64 -104.46 3 2 2 21 274.452 4 ↓
Hi High (pH 8-9.5) 3.78 9.89 -32.29 2 2 1 16 273.444 4 ↓
Hi High (pH 8-9.5) 3.78 8.33 -32.37 2 2 1 20 273.444 4 ↓

Activity (Go SEA)

Rings

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