UCSF

ZINC36875168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

Popular Name: (1R)-2-[(2S)-2-methylmorpholin-4-yl]-1-(2-naphthyl)ethanamine (1R)-2-[(2S)-2-methylmorpholin-4…

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) 0.85 5.29 -47.42 3 3 1 40 271.384 3 ↓
Hi High (pH 8-9.5) 0.85 4.67 -4.71 2 3 0 38 270.376 3 ↓
Lo Low (pH 4.5-6) 0.85 7.26 -138.86 4 3 2 41 272.392 3 ↓

Activity (Go SEA)

Rings

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