In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 19 | Yes |
Popular Name: (1R)-3-(4-ethylpiperazin-1-yl)-1-(p-tolyl)propan-1-ol (1R)-3-(4-ethylpiperazin-1-yl)-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) | 2.14 | 5.66 | -33.72 | 2 | 3 | 1 | 28 | 263.405 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 3.38 | -3.74 | 1 | 3 | 0 | 27 | 262.397 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 5.65 | -36.42 | 2 | 3 | 1 | 28 | 263.405 | 5 | ↓ |