| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | No |
Popular Name: (1S)-N,2,2-trimethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine (1S)-N,2,2-trimethyl-1-phenyl-3-…
| 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) | 3.52 | 8.73 | -42.39 | 2 | 2 | 1 | 20 | 293.5 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 9.15 | -38.19 | 2 | 2 | 1 | 16 | 293.5 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 9.94 | -115.62 | 3 | 2 | 2 | 21 | 294.508 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
