| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 30 | Yes |
Popular Name: 3-methyl-N-[6-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridyl]butanamide 3-methyl-N-[6-[4-[[3-(trifluorom…
| 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) | 4.30 | 11.87 | -49.32 | 2 | 5 | 1 | 50 | 421.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 9.65 | -10.47 | 1 | 5 | 0 | 48 | 420.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 9.98 | -35.95 | 2 | 5 | 1 | 50 | 421.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.30 | 12.2 | -108.2 | 3 | 5 | 2 | 51 | 422.495 | 7 | ↓ |
