In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-ethyl-2-thienyl)-N-methyl-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) | 4.21 | 8.21 | -36.82 | 2 | 3 | 1 | 35 | 369.304 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 7.46 | -5.35 | 1 | 3 | 0 | 30 | 368.296 | 4 | ↓ |