| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 24 | Yes |
Popular Name: N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide N-[(2S)-2-methyl-3-(4-methylpipe…
| 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) | 2.67 | 7.19 | -44.23 | 2 | 4 | 1 | 37 | 344.401 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 6.8 | -46.7 | 2 | 4 | 1 | 37 | 344.401 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 4.82 | -10.33 | 1 | 4 | 0 | 36 | 343.393 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
