| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2011 | 26 | Yes |
Popular Name: 1-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methyl-propyl]-3-[2-(trifluoromethyl)phenyl]urea 1-[(2S)-3-(4-ethylpiperazin-1-yl…
| 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) | 3.34 | 7.4 | -38.21 | 3 | 5 | 1 | 49 | 373.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 5.12 | -6.78 | 2 | 5 | 0 | 48 | 372.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 7.08 | -41.11 | 3 | 5 | 1 | 49 | 373.443 | 7 | ↓ |
