| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | Yes |
Popular Name: [(2S,3S)-3-(1-methylindolin-5-yl)-4-propyl-morpholin-2-yl]methanamine [(2S,3S)-3-(1-methylindolin-5-yl…
| 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) | 1.51 | 4.45 | -40.06 | 3 | 4 | 1 | 43 | 290.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 3.98 | -4.25 | 2 | 4 | 0 | 42 | 289.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 5.07 | -88.82 | 4 | 4 | 2 | 45 | 291.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 6.35 | -101.28 | 4 | 4 | 2 | 45 | 291.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
