UCSF

ZINC55472419

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 24 Yes

Popular Name: 4-[[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methylamino]methyl]-N,N-dimethyl-aniline 4-[[[3-fluoro-4-(1,2,4-triazol-1…

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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) 2.10 11.13 -56.57 2 5 1 51 326.399 6 ↓
Mid Mid (pH 6-8) 2.10 9.77 -8.66 1 5 0 46 325.391 6 ↓

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