| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: 4-[[(2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-1,4-thiazepane 4-[[(2R,3aR,7aR)-2,3,3a,4,5,6,7,…
| 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) | 3.57 | 8.73 | -119.58 | 3 | 2 | 2 | 21 | 256.459 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 7.02 | -35.84 | 2 | 2 | 1 | 20 | 255.451 | 2 | ↓ |
