UCSF

ZINC55472468

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 25 Yes

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

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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) 1.75 12.64 -134.6 3 5 2 52 341.434 7 ↓
Hi High (pH 8-9.5) 1.75 12.11 -51.16 2 5 1 51 340.426 7 ↓
Hi High (pH 8-9.5) 1.75 9.17 -7.66 1 5 0 46 339.418 7 ↓
Mid Mid (pH 6-8) 1.75 11.19 -47.26 2 5 1 47 340.426 7 ↓

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Rings

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

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