In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: 3-[[(2R)-4-methyl-2-phenyl-piperazin-1-yl]methyl]aniline 3-[[(2R)-4-methyl-2-phenyl-piper…
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) | 2.27 | 7.59 | -36.92 | 3 | 3 | 1 | 34 | 282.411 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 5.2 | -3.29 | 2 | 3 | 0 | 32 | 281.403 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 9.5 | -114.88 | 4 | 3 | 2 | 35 | 283.419 | 3 | ↓ |