In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 16 | Yes |
Popular Name: N'-cycloheptyl-N'-methyl-N-propyl-propane-1,3-diamine N'-cycloheptyl-N'-methyl-N-propy…
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) | 3.34 | 8.52 | -102.23 | 3 | 2 | 2 | 21 | 228.424 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 6.19 | -36.25 | 2 | 2 | 1 | 20 | 227.416 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 7.18 | -32.61 | 2 | 2 | 1 | 16 | 227.416 | 7 | ↓ |