In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 14 | Yes |
Popular Name: (2S)-2-(4-ethylpiperazin-1-yl)-3-methyl-butan-1-amine (2S)-2-(4-ethylpiperazin-1-yl)-3…
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) | 0.52 | 3.36 | -89.95 | 4 | 3 | 2 | 35 | 201.358 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.52 | 0.98 | -41.53 | 3 | 3 | 1 | 34 | 200.35 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 2.87 | -108.42 | 4 | 3 | 2 | 35 | 201.358 | 4 | ↓ |