In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 17 | Yes |
Popular Name: 1-[4-(aminomethyl)phenyl]-N-methyl-N-(2-thienylmethyl)methanamine 1-[4-(aminomethyl)phenyl]-N-meth…
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) | 2.22 | 7.21 | -92.81 | 4 | 2 | 2 | 32 | 248.395 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 4.46 | -3.88 | 2 | 2 | 0 | 29 | 246.379 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 4.87 | -44.25 | 3 | 2 | 1 | 31 | 247.387 | 5 | ↓ |