UCSF

ZINC69237783

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 2.77 7.47 -32.73 2 4 1 35 297.463 7 ↓
Hi High (pH 8-9.5) 2.77 5.7 -1.89 1 4 0 34 296.455 7 ↓
Hi High (pH 8-9.5) 2.77 6.43 -33.72 2 4 1 38 297.463 7 ↓
Mid Mid (pH 6-8) 2.77 8.26 -111.54 3 4 2 40 298.471 7 ↓

Activity (Go SEA)

Rings

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

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