| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 16 | Yes |
Popular Name: [4-[[(2S)-2-methylazepan-1-yl]methyl]thiazol-2-yl]methanamine [4-[[(2S)-2-methylazepan-1-yl]me…
| 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) | 1.57 | 4.7 | -91.95 | 4 | 3 | 2 | 45 | 241.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.25 | -3.68 | 2 | 3 | 0 | 42 | 239.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 4.29 | -28.67 | 3 | 3 | 1 | 43 | 240.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
