UCSF

ZINC67974895

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 7-methyl-3-[(1-propylimidazol-2-yl)methyl]-3,7,11-triazaspiro[5.6]dodecan-12-one 7-methyl-3-[(1-propylimidazol-2-…

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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) 0.51 5.79 -80.02 3 6 2 56 321.469 4 ↓
Hi High (pH 8-9.5) 0.51 2.87 -10.28 1 6 0 53 319.453 4 ↓
Mid Mid (pH 6-8) 0.51 4.06 -30.88 2 6 1 55 320.461 4 ↓

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

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