UCSF

ZINC67946381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 Yes

Popular Name: 1-[(5R)-3-[(1-ethylimidazol-2-yl)methyl]-3,7-diazaspiro[4.5]decan-7-yl]-3-phenyl-propan-1-one 1-[(5R)-3-[(1-ethylimidazol-2-yl…

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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) 2.56 13.58 -104.53 2 5 2 44 382.552 6 ↓
Hi High (pH 8-9.5) 2.56 10.65 -13.21 0 5 0 41 380.536 6 ↓
Hi High (pH 8-9.5) 2.56 11.2 -30.47 1 5 1 43 381.544 6 ↓
Mid Mid (pH 6-8) 2.56 13.08 -40.55 1 5 1 43 381.544 6 ↓

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Rings

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

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