In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 21 | Yes |
Popular Name: 2-[(2R)-1-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[[(2S)-4-isobutylmorph…
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) | 2.28 | 4.51 | -39 | 2 | 4 | 1 | 32 | 298.495 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 6.51 | -88.2 | 3 | 4 | 2 | 34 | 299.503 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 6.78 | -98.87 | 3 | 4 | 2 | 34 | 299.503 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.28 | 8.74 | -180.62 | 4 | 4 | 3 | 35 | 300.511 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.