In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 17 | Yes |
Popular Name: (2S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (2S,4aS,8aS)-N-tert-butyl-1,2,3,…
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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) | 2.55 | 5.49 | -33.2 | 3 | 3 | 1 | 46 | 239.383 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 4.57 | -5.74 | 2 | 3 | 0 | 41 | 238.375 | 2 | ↓ |