| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: (4S)-N-[(1-tert-butylpyrazol-4-yl)methyl]thiochroman-4-amine (4S)-N-[(1-tert-butylpyrazol-4-y…
| 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) | 2.26 | 9.45 | -46.79 | 2 | 3 | 1 | 34 | 302.467 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 8.62 | -7.04 | 1 | 3 | 0 | 30 | 301.459 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
