| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 21 | Yes |
Popular Name: 3-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-amine 3-(4-quinazolin-4-yl-1,4-diazepa…
| 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) | 1.00 | 8.14 | -113.02 | 4 | 5 | 2 | 61 | 287.411 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 6.33 | -47.73 | 3 | 5 | 1 | 60 | 286.403 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 6.8 | -79.16 | 4 | 5 | 2 | 61 | 287.411 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 8.6 | -166.22 | 5 | 5 | 3 | 62 | 288.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
