| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 22 | Yes |
Popular Name: (5R)-1-allyl-5-(1,4-diazepan-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic (5R)-1-allyl-5-(1,4-diazepan-1-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) | 1.08 | 5.82 | -77.07 | 2 | 6 | 0 | 78 | 304.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 4.61 | -61.34 | 1 | 6 | -1 | 73 | 303.386 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 7.86 | -134.37 | 3 | 6 | 1 | 79 | 305.402 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 6.4 | -73.16 | 2 | 6 | 0 | 74 | 304.394 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
