UCSF

ZINC69468182

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (S)-1-isoquinolyl-(2-methylpyrazol-3-yl)methanamine (S)-1-isoquinolyl-(2-methylpyraz…

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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) 1.94 3.99 -47.17 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.94 4.58 -34.66 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.94 3.67 -9.5 2 4 0 57 238.294 2 ↓

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Rings

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

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