UCSF

ZINC69565310

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 Yes

Popular Name: 1-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-methyl-N-[(1R)-1-methylpropyl]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) 2.33 8.68 -41.95 2 6 1 64 342.467 5 ↓
Mid Mid (pH 6-8) 2.33 6.41 -8.45 1 6 0 63 341.459 5 ↓

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

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