| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 19 | Yes |
Popular Name: (2R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-(1-piperidyl)propan-2-ol (2R)-1-[(3,5-dimethyl-1H-pyrazol…
| 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) | 0.54 | 3.58 | -111.46 | 5 | 5 | 2 | 70 | 268.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 2.15 | -39.39 | 4 | 5 | 1 | 65 | 267.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 4.13 | -47.26 | 4 | 5 | 1 | 73 | 267.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 1.35 | -45.83 | 4 | 5 | 1 | 69 | 267.397 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
