| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | No |
Popular Name: (4S)-N-[(4S)-isothiochroman-4-yl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(4S)-isothiochroman-4-yl…
| 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) | 1.87 | 8.15 | -40.73 | 2 | 3 | 1 | 34 | 300.451 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 7.55 | -7.02 | 1 | 3 | 0 | 30 | 299.443 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 8.31 | -105.81 | 3 | 3 | 2 | 36 | 301.459 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
