UCSF

ZINC36128101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 13 Yes

Popular Name: 3-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]propan-1-amine 3-[(2S,5R)-5-ethyl-2-methyl-morp…

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) 0.49 0.77 -44.39 3 3 1 40 187.307 4 ↓
Lo Low (pH 4.5-6) 0.49 2.94 -105.82 4 3 2 41 188.315 4 ↓

Activity (Go SEA)

Rings

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