In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | Yes |
Popular Name: (3R)-N-[(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-cyclopropyl-pyrrolidin-3-amine (3R)-N-[(8-bromo-2,3-dihydro-1,4…
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) | 2.45 | 6.93 | -35.66 | 2 | 4 | 1 | 35 | 354.268 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 4.47 | -5.71 | 1 | 4 | 0 | 34 | 353.26 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 5.72 | -46.6 | 2 | 4 | 1 | 38 | 354.268 | 4 | ↓ |