In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclooctane-1,2-diamine (1S,2R)-N2-cyclopropyl-N1-ethyl-…
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) | 3.25 | 6.25 | -28.42 | 2 | 3 | 1 | 29 | 269.453 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 4.7 | -0.94 | 1 | 3 | 0 | 24 | 268.445 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 8.16 | -25.18 | 2 | 3 | 1 | 26 | 269.453 | 7 | ↓ |