| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 20 | Yes |
Popular Name: N-[(5-chloro-2-thienyl)methyl]-4-(ethylaminomethyl)-N,2,5-trimethyl-pyrazol-3-amine N-[(5-chloro-2-thienyl)methyl]-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) | 2.80 | 8.52 | -43.82 | 2 | 4 | 1 | 38 | 313.878 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 7.13 | -5.71 | 1 | 4 | 0 | 33 | 312.87 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 8.66 | -98.6 | 3 | 4 | 2 | 39 | 314.886 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
