UCSF

ZINC22290947

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 27 Yes

Popular Name: N-[(1R)-1-methyl-2-[[4-[(4-methyl-1-piperidyl)methyl]thiazol-2-yl]amino]-2-oxo-ethyl]benzamide N-[(1R)-1-methyl-2-[[4-[(4-methy…

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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) 2.51 8.76 -41.21 3 6 1 76 387.529 6 ↓
Hi High (pH 8-9.5) 2.70 7.66 -44.21 2 6 0 82 386.521 6 ↓
Hi High (pH 8-9.5) 2.51 6.48 -9.88 2 6 0 74 386.521 6 ↓

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