In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 20 | Yes |
Popular Name: 5-methyl-2-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propoxy]aniline 5-methyl-2-[(2R)-2-methyl-3-(4-m…
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) | 2.52 | 6.18 | -37.21 | 3 | 4 | 1 | 43 | 278.42 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 3.71 | -4.48 | 2 | 4 | 0 | 42 | 277.412 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 5.7 | -37.64 | 3 | 4 | 1 | 43 | 278.42 | 5 | ↓ |