| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 16 | No |
Popular Name: (2S)-3-(4-isopropylpiperazin-1-yl)-2-methyl-3-oxo-propanethioamide (2S)-3-(4-isopropylpiperazin-1-y…
| 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) | -0.11 | 2.14 | -15.54 | 2 | 4 | 0 | 50 | 243.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 4.29 | -49.04 | 3 | 4 | 1 | 51 | 244.384 | 3 | ↓ |
