| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 18 | No |
Popular Name: (2S)-2-(4-isopropylpiperazine-1-carbonyl)pentanethioamide (2S)-2-(4-isopropylpiperazine-1-…
| 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) | 0.95 | 3.38 | -5.25 | 2 | 4 | 0 | 50 | 271.43 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 5.53 | -36.77 | 3 | 4 | 1 | 51 | 272.438 | 5 | ↓ |
