In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | Yes |
Popular Name: N-[(3,5-dimethylphenyl)methyl]-N-isobutyl-propane-1,3-diamine N-[(3,5-dimethylphenyl)methyl]-N…
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) | 2.76 | 6.57 | -43.16 | 3 | 2 | 1 | 31 | 249.422 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 8.24 | -33.57 | 3 | 2 | 1 | 30 | 249.422 | 7 | ↓ |