In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1S)-1-(6-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) | 3.00 | 6.4 | -37.48 | 2 | 4 | 1 | 48 | 339.209 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 5.64 | -6.55 | 1 | 4 | 0 | 44 | 338.201 | 3 | ↓ |