UCSF

ZINC62977981

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)butan-2-amine (1S,2S)-1-[(3S)-3-morpholinopyrr…

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) 1.56 2.39 -37.16 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.56 1.99 -2.83 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.56 4.6 -92.12 4 4 2 45 311.495 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.