UCSF

ZINC54824081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 17 Yes

Popular Name: (1R,2R)-2-[2-(2-thienyl)ethylamino]cycloheptanecarbonitrile (1R,2R)-2-[2-(2-thienyl)ethylami…

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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) 3.86 8.35 -42.22 2 2 1 40 249.403 4 ↓
Hi High (pH 8-9.5) 3.86 7.06 -4.98 1 2 0 36 248.395 4 ↓

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

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