In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 21 | Yes |
Popular Name: (3S)-3-(aminomethyl)-1-benzyl-N-[(1R)-1,2-dimethylpropyl]-N-methyl-pyrrolidin-3-amine (3S)-3-(aminomethyl)-1-benzyl-N-…
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) | 2.22 | 5.89 | -28.97 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 6.74 | -34.51 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 4.23 | -42.18 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 5.64 | -119.87 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |