In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 25 | Yes |
Popular Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-ethyl]cyclohexanecarboxamide N-[(1S)-2-(4-benzylpiperazin-1-y…
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) | 3.36 | 9.32 | -43.11 | 2 | 4 | 1 | 37 | 344.523 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 9.4 | -44.52 | 2 | 4 | 1 | 37 | 344.523 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 7.07 | -7.96 | 1 | 4 | 0 | 36 | 343.515 | 6 | ↓ |