In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 26 | Yes |
Popular Name: 3-[4-[[[(3S)-1-benzylpyrrolidin-3-yl]amino]methyl]-N-methyl-anilino]propanenitrile 3-[4-[[[(3S)-1-benzylpyrrolidin-…
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) | 2.60 | 11.05 | -40.75 | 2 | 4 | 1 | 43 | 349.502 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.60 | 12.22 | -125.67 | 3 | 4 | 2 | 48 | 350.51 | 8 | ↓ |