In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2011 | 20 | Yes |
Popular Name: N-[(5-chloro-2-methoxy-phenyl)methyl]-N-methyl-2-piperazin-1-yl-ethanamine N-[(5-chloro-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) | 1.73 | 5.64 | -91.61 | 3 | 4 | 2 | 34 | 299.846 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 4.29 | -35.41 | 2 | 4 | 1 | 29 | 298.838 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 3.29 | -39.32 | 2 | 4 | 1 | 32 | 298.838 | 6 | ↓ |