In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2009 | 16 | Yes |
Popular Name: N'-cycloheptyl-N-isopropyl-N'-methyl-propane-1,3-diamine N'-cycloheptyl-N-isopropyl-N'-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) | 3.48 | 8.3 | -100.08 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 5.97 | -34.3 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 7.08 | -32.56 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |