| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | Yes |
Popular Name: (1S)-1-[3,5-dimethyl-1-(tetrahydropyran-4-ylmethyl)pyrazol-4-yl]propan-1-amine (1S)-1-[3,5-dimethyl-1-(tetrahyd…
| 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) | -0.12 | 4.73 | -44.34 | 3 | 4 | 1 | 55 | 252.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 4.38 | -6.98 | 2 | 4 | 0 | 53 | 251.374 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.12 | 4.29 | -102.16 | 4 | 4 | 2 | 56 | 253.39 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
