UCSF

ZINC36157089

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

Popular Name: 2-[[[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-(3-methoxypropyl)amino]methyl]-5,6,7,8-tetrahydro-3H- 2-[[[(2S)-2-hydroxy-3-(2-methylp…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.52 9.58 -59.3 3 7 1 89 472.631 11 ↓
Hi High (pH 8-9.5) 3.52 7.3 -16.76 2 7 0 88 471.623 11 ↓
Hi High (pH 8-9.5) 3.98 6.87 -51.21 2 7 0 92 471.623 11 ↓

Activity (Go SEA)

Rings

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