UCSF

ZINC67947988

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-3-(2-ethylimidazol-1-yl)propan-1-one 1-(3,7-dimethyl-3,7,11-triazaspi…

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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) 0.93 8.27 -77.65 2 6 2 47 349.523 4 ↓
Mid Mid (pH 6-8) 0.93 7.91 -47.05 1 6 1 46 348.515 4 ↓
Lo Low (pH 4.5-6) 0.93 10.52 -158.11 3 6 3 48 350.531 4 ↓

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Rings

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

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