UCSF

ZINC40448254

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 18 Yes

Popular Name: 3-(4-Aminobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol 3-(4-Aminobenzyl)-3H-[1,2,3]tria…

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CAS Number: 1216756-19-2

Other Names:

MFCD09864986

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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) 0.32 0.42 -46.58 2 7 -1 106 241.234 2 ↓
Lo Low (pH 4.5-6) -0.13 2.55 -19.88 3 7 0 102 242.242 2 ↓

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

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