| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 23 | Yes |
Popular Name: (5S)-5-(4-methyl-1,4-diazepan-1-yl)-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic (5S)-5-(4-methyl-1,4-diazepan-1-…
| 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) | 1.91 | 8.11 | -71.27 | 1 | 6 | 0 | 66 | 320.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 6.25 | -60.44 | 0 | 6 | -1 | 64 | 319.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 8.27 | -68.81 | 1 | 6 | 0 | 66 | 320.437 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 10.23 | -133.23 | 2 | 6 | 1 | 67 | 321.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
