| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | No |
Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(ethylaminomethyl)-N,2,5-trimethyl-pyrazol-3-amine N-[(3S)-1,1-dioxothiolan-3-yl]-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) | 0.22 | 3.51 | -52.14 | 2 | 6 | 1 | 72 | 301.436 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | 2.3 | -13.15 | 1 | 6 | 0 | 67 | 300.428 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.22 | 3.65 | -113.66 | 3 | 6 | 2 | 73 | 302.444 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
