| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 22 | Yes |
Popular Name: 5-isopropyl-N,N,2-trimethyl-4-[[[(1S)-1-(3-pyridyl)ethyl]amino]methyl]pyrazol-3-amine 5-isopropyl-N,N,2-trimethyl-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) | 2.10 | 7.08 | -25.98 | 2 | 5 | 1 | 47 | 302.446 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 6.94 | -6.84 | 1 | 5 | 0 | 46 | 301.438 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 8.21 | -97.61 | 3 | 5 | 2 | 52 | 303.454 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
