| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | No |
Popular Name: (4S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]isothiochroman-4-amine (4S)-N-[(1R)-1-(1,5-dimethylpyra…
| 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) | 2.55 | 8.47 | -41.26 | 2 | 3 | 1 | 34 | 288.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 7.45 | -7.31 | 1 | 3 | 0 | 30 | 287.432 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
