In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 20 | Yes |
Popular Name: [1-propyl-4-(4-propylpiperazin-1-yl)-4-piperidyl]methanamine [1-propyl-4-(4-propylpiperazin-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) | 1.29 | 5.88 | -182.98 | 5 | 4 | 3 | 40 | 285.5 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 3.57 | -33.16 | 3 | 4 | 1 | 37 | 283.484 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.29 | 3.93 | -107.46 | 4 | 4 | 2 | 39 | 284.492 | 6 | ↓ |