UCSF

ZINC70113936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 Yes

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]thieno[3,2-c]pyridin-4-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 3.94 9.12 -28.15 2 2 1 26 261.414 2 ↓
Hi High (pH 8-9.5) 3.94 8.79 -4.78 1 2 0 25 260.406 2 ↓

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

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