| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 20 | Yes |
Popular Name: N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cycloheptanamine N-[(3-phenyl-1H-pyrazol-5-yl)met…
| 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) | 4.20 | 7.99 | -38.5 | 3 | 3 | 1 | 45 | 270.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 7.99 | -47.08 | 3 | 3 | 1 | 45 | 270.4 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0784612A1; WO1996010559A1 | IBM Patent Data |
