| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | No |
Popular Name: (2S)-2-amino-2-phenyl-1-(1,4-thiazepan-4-yl)propan-1-one (2S)-2-amino-2-phenyl-1-(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) | 1.76 | 5.48 | -6.43 | 2 | 3 | 0 | 46 | 264.394 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 5.6 | -46.36 | 3 | 3 | 1 | 48 | 265.402 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
