| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 15 | Yes |
Popular Name: 1-methyl-4-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-1,4-diazepane 1-methyl-4-[[(3S)-3-methylpyrrol…
| 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) | 1.04 | 4.92 | -87.03 | 3 | 3 | 2 | 24 | 213.369 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 2.92 | -37.62 | 2 | 3 | 1 | 23 | 212.361 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.04 | 6.3 | -191.27 | 4 | 3 | 3 | 25 | 214.377 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
