| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (1S)-N-methyl-2-[(3S)-3-morpholinopyrrolidin-1-yl]-1-phenyl-ethanamine (1S)-N-methyl-2-[(3S)-3-morpholi…
| 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) | 1.70 | 3.35 | -42.35 | 2 | 4 | 1 | 32 | 290.431 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.70 | 3.09 | -3.05 | 1 | 4 | 0 | 28 | 289.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 5.75 | -119.35 | 3 | 4 | 2 | 34 | 291.439 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 5.79 | -36.57 | 2 | 4 | 1 | 29 | 290.431 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 5.56 | -94.77 | 3 | 4 | 2 | 34 | 291.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
