| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 4-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,5-trimethyl-pyrazol-3-amine 4-(aminomethyl)-N-[(3S)-1,1-diox…
| 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) | -0.53 | 0.84 | -62.09 | 3 | 6 | 1 | 83 | 273.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.53 | 0.46 | -14.9 | 2 | 6 | 0 | 81 | 272.374 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.53 | 0.97 | -121.88 | 4 | 6 | 2 | 84 | 274.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
