| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (5R)-1-[(1S)-1-cyclopentylethyl]-5-ethyl-1,4-diazepane (5R)-1-[(1S)-1-cyclopentylethyl]…
| 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) | 3.24 | 6.25 | -32.41 | 2 | 2 | 1 | 20 | 225.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.11 | -0.56 | 1 | 2 | 0 | 15 | 224.392 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.87 | -28.39 | 2 | 2 | 1 | 16 | 225.4 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 8.01 | -109.35 | 3 | 2 | 2 | 21 | 226.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
