In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2011 | 21 | Yes |
Popular Name: (3S,6S)-N-butyl-6-methyl-1-[[(2S)-tetrahydropyran-2-yl]methyl]piperidine-3-carboxamide (3S,6S)-N-butyl-6-methyl-1-[[(2S…
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) | 2.87 | 7.5 | -33.54 | 2 | 4 | 1 | 43 | 297.463 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 5.3 | -7.18 | 1 | 4 | 0 | 42 | 296.455 | 6 | ↓ |