UCSF

ZINC69457007

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 Yes

Popular Name: (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)chromane-3-carboxamide (3S)-6-ethoxy-N-([1,2,4]triazolo…

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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) 2.90 9.13 -13.53 1 7 0 81 338.367 3 ↓
Hi High (pH 8-9.5) 2.90 8.56 -57.93 0 7 -1 84 337.359 4 ↓

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

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