In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 21 | Yes |
Popular Name: N'-benzyl-N-[(3R)-1-isopropylpyrrolidin-3-yl]-N'-methyl-propane-1,3-diamine N'-benzyl-N-[(3R)-1-isopropylpyr…
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) | 2.62 | 7.15 | -31.32 | 2 | 3 | 1 | 20 | 290.475 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 4.79 | -2.21 | 1 | 3 | 0 | 19 | 289.467 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 5.94 | -40.25 | 2 | 3 | 1 | 23 | 290.475 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.62 | 9.47 | -81.78 | 3 | 3 | 2 | 21 | 291.483 | 8 | ↓ |