UCSF

ZINC23359117

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 Yes

Popular Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[[5-(methoxymethyl)-2-furyl]methyl]piperazin-2-yl]ethanol 2-[(2S)-1-(1-isopropyl-4-piperid…

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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) 1.80 3.5 -41.27 2 6 1 54 380.553 8 ↓
Hi High (pH 8-9.5) 1.80 3.44 -37.27 2 6 1 54 380.553 8 ↓
Mid Mid (pH 6-8) 1.80 5.72 -89.96 3 6 2 55 381.561 8 ↓

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

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