In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2009 | 24 | Yes |
Popular Name: (2R)-2-(4-isopropylphenyl)-2-[4-(2-pyridyl)piperazin-1-yl]ethanamine (2R)-2-(4-isopropylphenyl)-2-[4-…
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) | 2.93 | 6.81 | -96.96 | 4 | 4 | 2 | 48 | 326.488 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 6.52 | -50.66 | 3 | 4 | 1 | 47 | 325.48 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 8.59 | -130.93 | 4 | 4 | 2 | 48 | 326.488 | 5 | ↓ |