UCSF

ZINC65501298

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 Yes

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

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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) 3.28 7.67 -44.5 3 4 1 55 272.372 5 ↓
Hi High (pH 8-9.5) 3.28 6.32 -7.58 2 4 0 50 271.364 5 ↓
Lo Low (pH 4.5-6) 3.28 8.13 -105.29 4 4 2 56 273.38 5 ↓

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

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