UCSF

ZINC43965893

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 Yes

Popular Name: (1S,2S)-1-(4-methoxyphenyl)-N1,N2-dimethyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (1S,2S)-1-(4-methoxyphenyl)-N1,N…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 6.92 -112.04 3 4 2 40 294.439 7 ↓
Hi High (pH 8-9.5) 2.47 4.16 -5.39 1 4 0 34 292.423 7 ↓
Mid Mid (pH 6-8) 2.47 5.11 -34.37 2 4 1 38 293.431 7 ↓
Mid Mid (pH 6-8) 2.47 6.13 -35.28 2 4 1 35 293.431 7 ↓

Activity (Go SEA)

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