UCSF

ZINC67973914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 Yes

Popular Name: 11-(1H-imidazol-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-(1H-imidazol-4-ylmethyl)-3,7-…

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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) 0.62 6.39 -39.24 2 5 1 40 278.424 2 ↓
Mid Mid (pH 6-8) 0.62 6.9 -84.48 3 5 2 41 279.432 2 ↓
Lo Low (pH 4.5-6) 0.62 8.01 -161.71 4 5 3 42 280.44 2 ↓

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

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