| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 30 | Yes |
Popular Name: 4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]-2-[(4-methylpiperazin-1-yl)methyl]phenol 4-[[[1-(2-methoxyphenyl)cyclopen…
| 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) | 4.18 | 8.72 | -88.4 | 4 | 5 | 2 | 54 | 411.59 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 7.03 | -52.66 | 2 | 5 | 0 | 55 | 409.574 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 8.72 | -91.74 | 4 | 5 | 2 | 54 | 411.59 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 6.25 | -37.34 | 3 | 5 | 1 | 53 | 410.582 | 7 | ↓ |
