| 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-1-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) | 1.53 | 7.44 | -91.57 | 3 | 4 | 2 | 37 | 267.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 6.68 | -108.14 | 3 | 4 | 2 | 37 | 267.417 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 8.85 | -203.84 | 4 | 4 | 3 | 39 | 268.425 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
