In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 20 | Yes |
Popular Name: 4-[[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]methyl]-N-methyl-benzamide 4-[[[(3R)-1-cyclopropylpyrrolidi…
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) | 1.20 | 5.37 | -40.3 | 3 | 4 | 1 | 46 | 274.388 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 2.99 | -9.63 | 2 | 4 | 0 | 44 | 273.38 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 4.22 | -52.25 | 3 | 4 | 1 | 49 | 274.388 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.20 | 6.61 | -125.97 | 4 | 4 | 2 | 50 | 275.396 | 5 | ↓ |