UCSF

ZINC66339748

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 14 Yes

Popular Name: 2-Benzyl-2,6-diazaspiro[3.3]heptane 2-Benzyl-2,6-diazaspiro[3.3]heptane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1194375-85-3 , 1194508-28-5 , 1394840-24-4 , [1194508-28-5]

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) 1.32 2.79 -39.65 2 2 1 20 189.282 2 ↓
Hi High (pH 8-9.5) 1.43 3.37 -13.26 2 9 0 112 395.456 10 ↓
Lo Low (pH 4.5-6) 1.32 4.21 -35.69 2 2 1 16 189.282 2 ↓
Lo Low (pH 4.5-6) 1.32 5.97 -107.15 3 2 2 21 190.29 2 ↓

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

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