| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 17 | No |
Popular Name: (1S)-1-(3-bromophenyl)-3-thiomorpholino-propan-1-amine (1S)-1-(3-bromophenyl)-3-thiomor…
| 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) | 0.90 | 5.51 | -51.48 | 3 | 2 | 1 | 31 | 316.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 5.17 | -4.13 | 2 | 2 | 0 | 29 | 315.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 7.63 | -130.26 | 4 | 2 | 2 | 32 | 317.296 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 7.27 | -42.79 | 3 | 2 | 1 | 30 | 316.288 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
