| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 16 | Yes |
Popular Name: (4-methyl-1,4-diazepan-1-yl)-[(3S)-3-methylpyrrolidin-3-yl]methanone (4-methyl-1,4-diazepan-1-yl)-[(3…
| 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) | 0.36 | 4.93 | -86.93 | 3 | 4 | 2 | 41 | 227.352 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 2.93 | -42.16 | 2 | 4 | 1 | 40 | 226.344 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
