UCSF

ZINC54826050

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-[(2S)-tetrahydrofuran-2-yl]ethylamino]cycloheptanecarbonitrile (1R,2R)-2-[2-[(2S)-tetrahydrofur…

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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) 2.44 6.55 -36.88 2 3 1 50 237.367 4 ↓
Hi High (pH 8-9.5) 2.44 5.74 -5.73 1 3 0 45 236.359 4 ↓

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

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