UCSF

ZINC65507841

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 19 Yes

Popular Name: (3aR,4S)-4-[1-(2-methoxyethyl)-4-piperidyl]-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4S)-4-[1-(2-methoxyethyl)-4…

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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) 0.98 5.13 -84.66 4 5 2 56 266.389 4 ↓
Hi High (pH 8-9.5) 0.98 4.64 -40.44 3 5 1 54 265.381 4 ↓
Mid Mid (pH 6-8) 0.98 5.76 -106.64 4 5 2 59 266.389 4 ↓
Lo Low (pH 4.5-6) 0.98 6.21 -182.25 5 5 3 60 267.397 4 ↓

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Rings

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

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