UCSF

ZINC61456927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 Yes

Popular Name: (8R,9S)-N9-(cyclobutylmethyl)-N8-ethyl-N9-methyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9S)-N9-(cyclobutylmethyl)-N8…

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) 2.07 6.76 -35.03 2 4 1 35 283.436 5 ↓
Hi High (pH 8-9.5) 2.07 4.85 -2.19 1 4 0 34 282.428 5 ↓
Hi High (pH 8-9.5) 2.07 5.56 -33.22 2 4 1 38 283.436 5 ↓
Mid Mid (pH 6-8) 2.07 7.56 -112.34 3 4 2 40 284.444 5 ↓

Activity (Go SEA)

Rings

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

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