UCSF

ZINC69472030

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 17 Yes

Popular Name: (1S)-N-methyl-1-(2-propylpyrazol-3-yl)-2-(2-thienyl)ethanamine (1S)-N-methyl-1-(2-propylpyrazol…

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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) 2.95 6.67 -48.51 2 3 1 34 250.391 6 ↓
Hi High (pH 8-9.5) 2.95 5.84 -5.11 1 3 0 30 249.383 6 ↓

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

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