UCSF

ZINC37818562

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 Yes

Popular Name: [4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]-[(2R)-2-piperidyl]methanone [4-[(2-methylthiazol-4-yl)methyl…

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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) 0.52 3.9 -40.26 2 5 1 53 309.459 3 ↓
Hi High (pH 8-9.5) 0.52 2.65 -10.97 1 5 0 48 308.451 3 ↓
Mid Mid (pH 6-8) 0.52 6.14 -97.85 3 5 2 54 310.467 3 ↓

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