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-thienyl)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) | 3.64 | 7.42 | -36.88 | 2 | 3 | 1 | 35 | 355.277 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 6.67 | -5.51 | 1 | 3 | 0 | 30 | 354.269 | 3 | ↓ |