UCSF

ZINC69511423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 Yes

Popular Name: (2S)-1-(1,3-benzodioxol-5-yloxy)-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2-ol (2S)-1-(1,3-benzodioxol-5-yloxy)…

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) 0.40 3.92 -39.4 2 7 1 70 332.38 5 ↓
Hi High (pH 8-9.5) 0.40 3.45 -15.24 1 7 0 69 331.372 5 ↓
Mid Mid (pH 6-8) 0.40 6.17 -110.17 3 7 2 71 333.388 5 ↓
Lo Low (pH 4.5-6) 0.40 5.71 -49.68 2 7 1 70 332.38 5 ↓

Activity (Go SEA)

Rings

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

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