UCSF

ZINC23360352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 Yes

Popular Name: N-[4-[[(3S)-3-(2-hydroxyethyl)-4-(1-isopropyl-4-piperidyl)piperazin-1-yl]methyl]phenyl]acetamide N-[4-[[(3S)-3-(2-hydroxyethyl)-4…

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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) 1.57 4.16 -39.26 3 6 1 60 403.591 7 ↓
Mid Mid (pH 6-8) 1.57 4.04 -38.78 3 6 1 60 403.591 7 ↓
Lo Low (pH 4.5-6) 1.57 6.4 -92.25 4 6 2 61 404.599 7 ↓
Lo Low (pH 4.5-6) 1.57 6.25 -103.42 4 6 2 61 404.599 7 ↓

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Rings

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

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