UCSF

ZINC69460545

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 18 Yes

Popular Name: (4S)-4-methyl-5-[2-(4-pyridyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-methyl-5-[2-(4-pyridyl)et…

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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) 2.68 6.97 -5.52 0 2 0 16 258.39 3 ↓
Mid Mid (pH 6-8) 2.68 9.02 -43.41 1 2 1 17 259.398 3 ↓
Lo Low (pH 4.5-6) 2.68 7.43 -35.42 1 2 1 17 259.398 3 ↓

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

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