In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: (3R)-3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-1-isopropyl-N-methyl-pyrrolidin-3-amine (3R)-3-(aminomethyl)-N-[(4-chlor…
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) | 2.12 | 6.2 | -115.8 | 4 | 3 | 2 | 35 | 297.874 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 3.79 | -49.46 | 3 | 3 | 1 | 34 | 296.866 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 5.49 | -34.67 | 3 | 3 | 1 | 34 | 296.866 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 8.05 | -236.77 | 5 | 3 | 3 | 37 | 298.882 | 5 | ↓ |