In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 24 | Yes |
Popular Name: 1-(1-ethylpropyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine 1-(1-ethylpropyl)-4-[(3,4,5-trim…
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) | 3.01 | 7.41 | -39.9 | 1 | 5 | 1 | 35 | 337.484 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 5.54 | -6.88 | 0 | 5 | 0 | 34 | 336.476 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 7.86 | -46.4 | 1 | 5 | 1 | 35 | 337.484 | 8 | ↓ |