UCSF

ZINC71841220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2012 23 Yes

Popular Name: (2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[[3-(2-thienyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (2S)-2-[(2S,6R)-2,6-dimethylmorp…

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) 2.19 5.5 -44.22 3 5 1 58 335.497 6 ↓
Hi High (pH 8-9.5) 2.19 4.23 -5.07 2 5 0 53 334.489 6 ↓
Lo Low (pH 4.5-6) 2.19 7.35 -122.2 4 5 2 59 336.505 6 ↓

Activity (Go SEA)

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