| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | Yes |
Popular Name: N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-furyl]methyl]propan-2-amine N-[[2-[(4-methyl-1,4-diazepan-1-…
| 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) | 1.32 | 7.19 | -89.73 | 3 | 4 | 2 | 37 | 267.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 6.45 | -104.2 | 3 | 4 | 2 | 37 | 267.417 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 8.63 | -199.64 | 4 | 4 | 3 | 39 | 268.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
