| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 18 | No |
Popular Name: (1S)-1-(4-bromophenyl)-N-methyl-3-thiomorpholino-propan-1-amine (1S)-1-(4-bromophenyl)-N-methyl-…
| 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) | 2.27 | 7.21 | -48.33 | 2 | 2 | 1 | 20 | 330.315 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.27 | 6.1 | -3.44 | 1 | 2 | 0 | 15 | 329.307 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 8.24 | -43.82 | 2 | 2 | 1 | 16 | 330.315 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.27 | 9.32 | -127.29 | 3 | 2 | 2 | 21 | 331.323 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
