| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 26 | Yes |
Popular Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-4-(1-isopropyl-4-piperidyl)piperazin-2-yl]ethanol 2-[(2S)-1-[(2-fluorophenyl)methy…
| 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) | 2.47 | 5.53 | -37.66 | 2 | 4 | 1 | 31 | 364.529 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 5.53 | -39.1 | 2 | 4 | 1 | 31 | 364.529 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 7.73 | -83.62 | 3 | 4 | 2 | 32 | 365.537 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 7.74 | -107.48 | 3 | 4 | 2 | 32 | 365.537 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
