UCSF

ZINC66887650

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 21 No

Popular Name: 4-chloro-2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]phenol 4-chloro-2-[(Z)-2-(6,7-dihydro-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) 3.66 4.91 -39.85 2 3 1 37 321.853 4 ↓
Hi High (pH 8-9.5) 3.66 3.88 -6.84 1 3 0 36 320.845 4 ↓
Hi High (pH 8-9.5) 3.66 5.89 -40.56 0 3 -1 39 319.837 4 ↓
Hi High (pH 8-9.5) 3.66 5.12 -5.4 1 3 0 36 320.845 4 ↓
Hi High (pH 8-9.5) 3.66 6.71 -13.87 1 3 0 40 320.845 4 ↓
Hi High (pH 8-9.5) 3.66 7.47 -13.77 1 3 0 40 320.845 4 ↓
Mid Mid (pH 6-8) 3.66 6 -36.14 2 3 1 37 321.853 4 ↓
Mid Mid (pH 6-8) 3.66 7.28 -39.79 2 3 1 37 321.853 4 ↓
Lo Low (pH 4.5-6) 3.66 7.03 -112.88 3 3 2 39 322.861 4 ↓
Lo Low (pH 4.5-6) 3.66 8.15 -43.58 3 3 0 39 322.861 4 ↓

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

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