In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 20 | Yes |
Popular Name: (1R)-1-(3-methoxyphenyl)-2-(4-propylpiperazin-1-yl)ethanamine (1R)-1-(3-methoxyphenyl)-2-(4-pr…
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) | 0.26 | 5.47 | -104.98 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.26 | 2.34 | -4.26 | 2 | 4 | 0 | 42 | 277.412 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.26 | 3.16 | -45.76 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 4.73 | -34.3 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |