UCSF

ZINC67726234

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 22 No

Popular Name: (4S)-4-(3,4-dimethylphenyl)-5-(3-methylsulfanylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-4-(3,4-dimethylphenyl)-5-(3…

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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) 3.65 11.79 -38.64 2 3 1 33 316.494 5 ↓
Hi High (pH 8-9.5) 3.65 10.01 -8.69 1 3 0 32 315.486 5 ↓
Lo Low (pH 4.5-6) 3.65 10.48 -33.43 2 3 1 33 316.494 5 ↓

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

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