| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 20th, 2010 | 19 | No |
Popular Name: N-[[1,3-dimethyl-5-(1,4-thiazepan-4-yl)pyrazol-4-yl]methyl]propan-1-amine N-[[1,3-dimethyl-5-(1,4-thiazepa…
| 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) | 1.86 | 7.68 | -41.2 | 2 | 4 | 1 | 38 | 283.465 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 6.32 | -4.09 | 1 | 4 | 0 | 33 | 282.457 | 5 | ↓ |
