| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 18 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(4-methylsulfanylphenyl)ethanamine (2S)-2-(azepan-1-yl)-2-(4-methyl…
| 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) | 2.58 | 8.17 | -126.17 | 4 | 2 | 2 | 32 | 266.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 7.73 | -30.99 | 3 | 2 | 1 | 30 | 265.446 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 6.98 | -43.67 | 3 | 2 | 1 | 31 | 265.446 | 4 | ↓ |
