| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 18 | No |
Popular Name: (2S)-N-ethyl-2-phenyl-2-(1,4-thiazepan-4-yl)ethanamine (2S)-N-ethyl-2-phenyl-2-(1,4-thi…
| 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) | 2.39 | 9.84 | -116.46 | 3 | 2 | 2 | 21 | 266.454 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 8.04 | -42.41 | 2 | 2 | 1 | 20 | 265.446 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
