| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | No |
Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]isothiochroman-4-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-t…
| 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) | 3.98 | 10.87 | -38.74 | 2 | 1 | 1 | 17 | 304.504 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 10.23 | -3.41 | 1 | 1 | 0 | 12 | 303.496 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
