In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2011 | 19 | Yes |
Popular Name: N-[(2,3-dimethylphenyl)methyl]-N-methyl-2-piperazin-1-yl-ethanamine N-[(2,3-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) | 1.87 | 6.8 | -93.13 | 3 | 3 | 2 | 24 | 263.429 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 5.07 | -38.9 | 2 | 3 | 1 | 23 | 262.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 5.44 | -36.05 | 2 | 3 | 1 | 20 | 262.421 | 5 | ↓ |