UCSF

ZINC69472870

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

Popular Name: (S)-1-isoquinolyl-(2-propylpyrazol-3-yl)methanamine (S)-1-isoquinolyl-(2-propylpyraz…

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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) 2.82 5.21 -46.53 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.82 6.25 -34.4 3 4 1 58 267.356 4 ↓
Mid Mid (pH 6-8) 2.82 4.9 -8.83 2 4 0 57 266.348 4 ↓

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

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