| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 24 | Yes |
Popular Name: N,N,2,5-tetramethyl-4-[[[(1S)-1-(3-methylbenzofuran-2-yl)ethyl]amino]methyl]pyrazol-3-amine N,N,2,5-tetramethyl-4-[[[(1S)-1-…
| 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) | 3.22 | 9.68 | -97.28 | 3 | 5 | 2 | 52 | 328.46 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.43 | -28.95 | 2 | 5 | 1 | 47 | 327.452 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.3 | -8.83 | 1 | 5 | 0 | 46 | 326.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 9.52 | -41.44 | 2 | 5 | 1 | 51 | 327.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
