UCSF

ZINC23358597

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Popular Name: 2-[(2S)-4-[(4-fluoro-3-methoxy-phenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-4-[(4-fluoro-3-methoxy-p…

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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) 2.50 4.66 -37.87 2 5 1 40 394.555 7 ↓
Mid Mid (pH 6-8) 2.50 4.53 -41.19 2 5 1 40 394.555 7 ↓
Lo Low (pH 4.5-6) 2.50 6.92 -98.78 3 5 2 42 395.563 7 ↓
Lo Low (pH 4.5-6) 2.50 6.72 -107.94 3 5 2 42 395.563 7 ↓

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Rings

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

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