UCSF

ZINC65526503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: 2-[2-[[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-4-yl]methyl]pyrrol-1-yl]thiazole 2-[2-[[(1R,6S)-4,9-diazabicyclo[…

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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) 2.01 7.35 -30.96 2 4 1 38 289.428 3 ↓
Hi High (pH 8-9.5) 2.01 6.11 -4.84 1 4 0 33 288.42 3 ↓
Lo Low (pH 4.5-6) 2.01 7.81 -29.18 2 4 1 34 289.428 3 ↓

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Rings

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

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