| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 17 | Yes |
Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]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) | 0.91 | 6.38 | -41.84 | 3 | 3 | 1 | 45 | 236.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 6.07 | -4.9 | 2 | 3 | 0 | 44 | 235.375 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 6.12 | -98.95 | 4 | 3 | 2 | 47 | 237.391 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
