| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 18 | Yes |
Popular Name: (3S)-3-isobutyl-1-(1-methyl-4-piperidyl)-1,4-diazepane (3S)-3-isobutyl-1-(1-methyl-4-pi…
| 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) | 2.32 | 6.57 | -82.7 | 3 | 3 | 2 | 24 | 255.45 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 5.37 | -34.3 | 2 | 3 | 1 | 20 | 254.442 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 7.25 | -99.98 | 3 | 3 | 2 | 21 | 255.45 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 8.42 | -192.8 | 4 | 3 | 3 | 25 | 256.458 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
