UCSF

ZINC69564883

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 26 Yes

Popular Name: 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-N-(1-ethylpropyl)-5-methyl-triazole-4-carboxamide 1-(2-ethyl-3,4-dihydro-1H-isoqui…

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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) 2.86 9.29 -41.34 2 6 1 64 356.494 6 ↓
Mid Mid (pH 6-8) 2.86 7.02 -8.03 1 6 0 63 355.486 6 ↓

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

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