| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 18 | Yes |
Popular Name: 3-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(2-pyrazol-1-ylethyl)-1,4-d…
| 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) | -0.35 | 3.82 | -93.44 | 4 | 5 | 2 | 53 | 253.394 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.35 | 1.8 | -45.49 | 3 | 5 | 1 | 52 | 252.386 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | 3.64 | -108.66 | 4 | 5 | 2 | 53 | 253.394 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.35 | 5.67 | -202.15 | 5 | 5 | 3 | 54 | 254.402 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
