| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | No |
Popular Name: (1S)-N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine (1S)-N-ethyl-1-phenyl-3-(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) | 2.11 | 8.15 | -41.82 | 2 | 2 | 1 | 20 | 279.473 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 9.15 | -39.57 | 2 | 2 | 1 | 16 | 279.473 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 10.15 | -118.17 | 3 | 2 | 2 | 21 | 280.481 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
