UCSF

ZINC69990240

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 Yes

Popular Name: (1R)-2-(1-isopropylpyrazol-3-yl)-1-quinoxalin-6-yl-ethanamine (1R)-2-(1-isopropylpyrazol-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) 0.43 4.93 -44.46 3 5 1 71 282.371 4 ↓
Mid Mid (pH 6-8) 0.43 4.57 -9.98 2 5 0 70 281.363 4 ↓

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

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