| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: N-[(1S)-1-[2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(4-methyl-1,4-diaze…
| 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) | 2.49 | 8.58 | -82.77 | 3 | 4 | 2 | 37 | 284.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 5.45 | -4.96 | 1 | 4 | 0 | 31 | 282.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 6.63 | -37.23 | 2 | 4 | 1 | 36 | 283.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
