In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | Yes |
Popular Name: N1-[(5-bromo-2-propoxy-phenyl)methyl]-N2,N2,2-trimethyl-propane-1,2-diamine N1-[(5-bromo-2-propoxy-phenyl)me…
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) | 4.01 | 9.37 | -109.59 | 3 | 3 | 2 | 30 | 345.325 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 7.25 | -34.21 | 2 | 3 | 1 | 29 | 344.317 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 8.13 | -29.11 | 2 | 3 | 1 | 26 | 344.317 | 8 | ↓ |