| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 4-(ethylaminomethyl)-N,2,5-trimethyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyrazol-3-amine 4-(ethylaminomethyl)-N,2,5-trime…
| 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) | 1.58 | 6.99 | -38.28 | 2 | 5 | 1 | 47 | 281.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 5.59 | -4.37 | 1 | 5 | 0 | 42 | 280.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 5.73 | -25.18 | 2 | 5 | 1 | 44 | 281.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 7.12 | -92.99 | 3 | 5 | 2 | 48 | 282.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
