In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-(4-ethylpiperazin-1-yl)-1-(p-tolyl)propan-1-ol (1S,2S)-2-(4-ethylpiperazin-1-yl…
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) | 2.20 | 5.81 | -34.78 | 2 | 3 | 1 | 28 | 263.405 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 3.53 | -3.3 | 1 | 3 | 0 | 27 | 262.397 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 5.28 | -32.05 | 2 | 3 | 1 | 28 | 263.405 | 4 | ↓ |