| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | No |
Popular Name: N'-[(4R)-isothiochroman-4-yl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(4R)-isothiochroman-4-yl]-N-…
| 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) | 2.00 | 5.39 | -40.91 | 2 | 3 | 1 | 29 | 281.445 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4.58 | -4.27 | 1 | 3 | 0 | 24 | 280.437 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 7 | -37.18 | 2 | 3 | 1 | 26 | 281.445 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 7.82 | -120.3 | 3 | 3 | 2 | 30 | 282.453 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
