In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 19 | Yes |
Popular Name: (1R)-1-cyclohexyl-N-(2-dimethylaminoethyl)-N-isobutyl-ethane-1,2-diamine (1R)-1-cyclohexyl-N-(2-dimethyla…
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) | 2.58 | 6.33 | -103.13 | 4 | 3 | 2 | 35 | 271.493 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 8.47 | -101.03 | 4 | 3 | 2 | 35 | 271.493 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 4.35 | -43.29 | 3 | 3 | 1 | 34 | 270.485 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 8.45 | -233.58 | 5 | 3 | 3 | 37 | 272.501 | 8 | ↓ |