In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2011 | 18 | Yes |
Popular Name: (3R)-1-(4-methoxy-2-methyl-phenyl)-N-propyl-pyrrolidin-3-amine (3R)-1-(4-methoxy-2-methyl-pheny…
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) | 3.26 | 7.54 | -41.72 | 2 | 3 | 1 | 29 | 249.378 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 6.34 | -2.93 | 1 | 3 | 0 | 24 | 248.37 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 7.58 | -112.51 | 3 | 3 | 2 | 30 | 250.386 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 6.36 | -30.59 | 2 | 3 | 1 | 26 | 249.378 | 5 | ↓ |