In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (2R)-N1-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-N2,N2,3-trimethyl-butane-1,2-diamine (2R)-N1-[(1R)-3-(4-methoxyphenyl…
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) | 3.95 | 7.61 | -39.61 | 2 | 3 | 1 | 29 | 293.475 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 8.92 | -34.94 | 2 | 3 | 1 | 26 | 293.475 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 10.08 | -119.75 | 3 | 3 | 2 | 30 | 294.483 | 9 | ↓ |