In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | Yes |
Popular Name: N,N-diethyl-N'-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine N,N-diethyl-N'-[(2-pyrrolidin-1-…
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) | 2.74 | 9.13 | -34.08 | 2 | 3 | 1 | 20 | 276.448 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.74 | 8.14 | -36.79 | 2 | 3 | 1 | 23 | 276.448 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.74 | 10.28 | -116.48 | 3 | 3 | 2 | 24 | 277.456 | 8 | ↓ |