UCSF

ZINC69236677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 Yes

Popular Name: N-(4,5,6,7,8,9,10,11,12,13-decahydro-3H-cyclododeca[d]imidazol-2-ylmethyl)-2-methoxy-ethanamine N-(4,5,6,7,8,9,10,11,12,13-decah…

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) 3.85 6.46 -27.25 3 4 1 51 294.463 5 ↓
Hi High (pH 8-9.5) 3.85 5.64 -6.52 2 4 0 50 293.455 5 ↓
Mid Mid (pH 6-8) 3.85 6.98 -40.23 3 4 1 55 294.463 5 ↓
Mid Mid (pH 6-8) 3.85 7.79 -110.18 4 4 2 56 295.471 5 ↓

Activity (Go SEA)

Rings

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

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