| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-1-(4-methylpiperazin-1-yl)-1-(3-methyl-2-thienyl)propan-2-amine (1S,2S)-1-(4-methylpiperazin-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) | 1.30 | 4.12 | -89.79 | 4 | 3 | 2 | 35 | 255.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 1.45 | -2.16 | 2 | 3 | 0 | 32 | 253.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 1.76 | -40.08 | 3 | 3 | 1 | 34 | 254.423 | 3 | ↓ |
