UCSF

ZINC67561664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: (2S)-2-[4-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methyl]phenoxy]propanoic (2S)-2-[4-[(1,9-dimethyl-1,4,9-t…

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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) 1.79 7.64 -74.72 1 6 0 60 361.486 5 ↓
Mid Mid (pH 6-8) 1.79 7.5 -69.48 1 6 0 60 361.486 5 ↓
Mid Mid (pH 6-8) 1.79 9.52 -129.64 2 6 1 61 362.494 5 ↓
Lo Low (pH 4.5-6) 1.79 9.89 -126.99 2 6 1 61 362.494 5 ↓

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Rings

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

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