UCSF

ZINC62810231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 18 No

Popular Name: N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,2,2-trifluoro-acetamide N-(3-cyano-4,5,6,7-tetrahydrothi…

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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) 1.27 3.46 -51.14 3 4 1 69 276.263 2 ↓
Hi High (pH 8-9.5) 1.46 1.95 -57.06 2 4 0 76 275.255 2 ↓
Hi High (pH 8-9.5) 1.46 0.53 -31 1 4 -1 71 274.247 2 ↓
Hi High (pH 8-9.5) 1.27 2.08 -5.16 2 4 0 65 275.255 2 ↓

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Rings

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

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