| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 17 | Yes |
Popular Name: (3S)-3-isopropyl-1-(1-methyl-4-piperidyl)-1,4-diazepane (3S)-3-isopropyl-1-(1-methyl-4-p…
| 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) | 1.79 | 5.94 | -80.11 | 3 | 3 | 2 | 24 | 241.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 4.74 | -34.24 | 2 | 3 | 1 | 20 | 240.415 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 6.61 | -99.53 | 3 | 3 | 2 | 21 | 241.423 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 7.8 | -188.45 | 4 | 3 | 3 | 25 | 242.431 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
