| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,5-trimethyl-4-(propylaminomethyl)pyrazol-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-N…
| 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) | 0.72 | 4.27 | -53.02 | 2 | 6 | 1 | 72 | 315.463 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 3.07 | -13.09 | 1 | 6 | 0 | 67 | 314.455 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 4.4 | -115.74 | 3 | 6 | 2 | 73 | 316.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
