UCSF

ZINC67490935

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: (5S)-5-[3-[(4-allylpiperazin-1-yl)methyl]phenoxy]-1-azabicyclo[3.2.1]octane (5S)-5-[3-[(4-allylpiperazin-1-y…

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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) 2.93 9.07 -78.31 2 4 2 21 343.515 6 ↓
Hi High (pH 8-9.5) 2.93 4.1 -3.66 0 4 0 19 341.499 6 ↓
Mid Mid (pH 6-8) 2.93 6.8 -38.18 1 4 1 20 342.507 6 ↓
Mid Mid (pH 6-8) 2.93 9.05 -81.13 2 4 2 21 343.515 6 ↓

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Rings

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

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