In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 17 | Yes |
Popular Name: N'-[(5-bromo-1H-indol-3-yl)methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[(5-bromo-1H-indol-3-yl)methy…
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) | 2.46 | 4.67 | -39.78 | 3 | 3 | 1 | 36 | 297.22 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 3.22 | -5.16 | 2 | 3 | 0 | 31 | 296.212 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 6.99 | -115 | 4 | 3 | 2 | 37 | 298.228 | 5 | ↓ |