| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2012 | 18 | Yes |
Popular Name: (2S)-2-[(4S)-4-isopropylazepan-1-yl]-2-(2-thienyl)ethanamine (2S)-2-[(4S)-4-isopropylazepan-1…
| 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) | 3.55 | 5.68 | -45.34 | 3 | 2 | 1 | 31 | 267.462 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 4.86 | -1.49 | 2 | 2 | 0 | 29 | 266.454 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.55 | 7.32 | -125.83 | 4 | 2 | 2 | 32 | 268.47 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.