| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 19 | Yes |
Popular Name: 4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[[(2S,4S)-4-methoxypyrrolidin-…
| 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) | 1.49 | 4.55 | -36.22 | 2 | 4 | 1 | 35 | 263.361 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 2.27 | -5.08 | 1 | 4 | 0 | 34 | 262.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 3.54 | -40.08 | 2 | 4 | 1 | 38 | 263.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
