UCSF

ZINC67755523

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 22 Yes

Popular Name: 10-[(2-butyl-1H-imidazol-4-yl)methyl]-3,10-diazaspiro[5.6]dodecane 10-[(2-butyl-1H-imidazol-4-yl)me…

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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) 2.27 8.86 -88.73 4 4 2 50 306.498 5 ↓
Hi High (pH 8-9.5) 2.27 6.59 -45.07 3 4 1 49 305.49 5 ↓
Mid Mid (pH 6-8) 2.27 9.2 -169.9 5 4 3 51 307.506 5 ↓
Mid Mid (pH 6-8) 2.27 7.04 -77.99 4 4 2 50 306.498 5 ↓

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Rings

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

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