UCSF

ZINC19999831

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 Yes

Popular Name: 2,4-dichloro-6-[([1,2,4]triazolo[4,5-a]pyridin-3-ylmethylamino)methyl]phenol 2,4-dichloro-6-[([1,2,4]triazolo…

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Vendors

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) 2.82 7.69 -36.63 2 5 0 70 323.183 4 ↓
Hi High (pH 8-9.5) 2.82 6.2 -41.58 1 5 -1 65 322.175 4 ↓
Mid Mid (pH 6-8) 2.82 7.03 -54.62 3 5 1 67 324.191 4 ↓
Mid Mid (pH 6-8) 2.82 5.51 -17.43 2 5 0 62 323.183 4 ↓

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

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