| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 17 | Yes |
Popular Name: (2S)-2-amino-3-methyl-1-(4-sec-butylpiperazin-1-yl)butan-1-one (2S)-2-amino-3-methyl-1-(4-sec-b…
| 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) | 0.75 | 2.75 | -43.62 | 3 | 4 | 1 | 51 | 242.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 2.42 | -8.19 | 2 | 4 | 0 | 50 | 241.379 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.75 | 4.68 | -97.52 | 4 | 4 | 2 | 52 | 243.395 | 4 | ↓ |
