| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 18 | Yes |
Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)-3,…
| 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) | 2.26 | 8.1 | -37.16 | 2 | 3 | 1 | 34 | 250.41 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 6.94 | -4.45 | 1 | 3 | 0 | 30 | 249.402 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 7.84 | -93.39 | 3 | 3 | 2 | 36 | 251.418 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
