UCSF

ZINC69472045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 Yes

Popular Name: N-[(1R)-1-(2-ethylpyrazol-3-yl)-2-(2-thienyl)ethyl]propan-1-amine N-[(1R)-1-(2-ethylpyrazol-3-yl)-…

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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) 3.33 7.84 -38.15 2 3 1 34 264.418 7 ↓
Hi High (pH 8-9.5) 3.33 6.15 -5.27 1 3 0 30 263.41 7 ↓

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

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