| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2011 | 25 | Yes |
Popular Name: 1-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]urea 1-[(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) | 3.01 | 6.43 | -42.31 | 3 | 5 | 1 | 49 | 359.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 4.06 | -9.1 | 2 | 5 | 0 | 48 | 358.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.04 | -44.5 | 3 | 5 | 1 | 49 | 359.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 1.66 | -5.07 | 2 | 5 | 0 | 51 | 358.408 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 3.59 | -40.83 | 3 | 5 | 1 | 52 | 359.416 | 7 | ↓ |
