In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 18 | Yes |
Popular Name: N1-[(5-bromo-2-methoxy-phenyl)methyl]-N2,N2,2-trimethyl-propane-1,2-diamine N1-[(5-bromo-2-methoxy-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) | 3.13 | 7.63 | -109 | 3 | 3 | 2 | 30 | 317.271 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 5.56 | -34.53 | 2 | 3 | 1 | 29 | 316.263 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 6.34 | -29.88 | 2 | 3 | 1 | 26 | 316.263 | 6 | ↓ |