UCSF

ZINC69062328

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 24 No

Popular Name: 5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-2-[[methyl(propyl)amino]methyl]-1,2,4-triazole-3- 5-[(1R)-1-(dimethylamino)ethyl]-…

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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) 2.31 11.15 -37.16 1 5 1 30 352.503 7 ↓
Hi High (pH 8-9.5) 2.31 8.7 -9.43 0 5 0 29 351.495 7 ↓
Mid Mid (pH 6-8) 2.31 13.93 -103.25 2 5 2 32 353.511 7 ↓

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

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