UCSF

ZINC67457835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: 3-chloro-6-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic 3-chloro-6-(1,4-dimethyl-1,4,9-t…

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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) 2.18 7.28 -70.21 1 6 0 64 338.839 2 ↓
Hi High (pH 8-9.5) 2.18 7.08 -81.35 1 6 0 64 338.839 2 ↓
Hi High (pH 8-9.5) 2.18 5.03 -51.85 0 6 -1 63 337.831 2 ↓
Lo Low (pH 4.5-6) 2.18 7.57 -73.86 2 6 1 65 339.847 2 ↓

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Rings

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

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