| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | Yes |
Popular Name: N-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[(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) | 1.24 | 7.77 | -178.22 | 4 | 4 | 3 | 38 | 285.481 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 4.3 | -33.03 | 2 | 4 | 1 | 33 | 283.465 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 3.08 | -38.33 | 2 | 4 | 1 | 36 | 283.465 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 1.72 | -5.27 | 1 | 4 | 0 | 31 | 282.457 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 5.66 | -83.35 | 3 | 4 | 2 | 37 | 284.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
