| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | No |
Popular Name: 2-methyl-N-[[4-(1,4-thiazepan-4-ylmethyl)thiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[4-(1,4-thiazepan-4-…
| 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) | 2.04 | 7.9 | -89.54 | 3 | 3 | 2 | 34 | 301.525 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.13 | -4.74 | 1 | 3 | 0 | 28 | 299.509 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 6.38 | -35.42 | 2 | 3 | 1 | 33 | 300.517 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
