| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: [1,3-dimethyl-5-(1,4-thiazepan-4-yl)pyrazol-4-yl]methanamine [1,3-dimethyl-5-(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) | 0.60 | 4.28 | -47.18 | 3 | 4 | 1 | 49 | 241.384 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 4.22 | -5.2 | 2 | 4 | 0 | 47 | 240.376 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
