UCSF

ZINC62031290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Popular Name: (8R,9R)-N9-(3-methoxypropyl)-N9-methyl-N8-propyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8R,9R)-N9-(3-methoxypropyl)-N9-…

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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) 1.78 3.82 -36.43 2 5 1 48 301.451 8 ↓
Hi High (pH 8-9.5) 1.78 2.7 -3.66 1 5 0 43 300.443 8 ↓
Mid Mid (pH 6-8) 1.78 4.59 -35.22 2 5 1 44 301.451 8 ↓
Lo Low (pH 4.5-6) 1.78 5.74 -115.54 3 5 2 49 302.459 8 ↓

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Rings

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

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