| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 22 | No |
Popular Name: (2S)-1-(dimethylamino)-3-[4-[(3-nitro-4-pyridyl)amino]pyrazol-1-yl]propan-2-ol (2S)-1-(dimethylamino)-3-[4-[(3-…
| 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) | 0.51 | 3.69 | -46.75 | 3 | 9 | 1 | 113 | 307.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 1.17 | -11.17 | 2 | 9 | 0 | 112 | 306.326 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 4.15 | -90.81 | 4 | 9 | 2 | 114 | 308.342 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
