In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | Yes |
Popular Name: (2R)-N1,N1,4-trimethyl-N2-(1-pentylhexyl)pentane-1,2-diamine (2R)-N1,N1,4-trimethyl-N2-(1-pen…
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) | 6.65 | 12.51 | -116.75 | 3 | 2 | 2 | 21 | 300.575 | 14 | ↓ |
Hi High (pH 8-9.5) | 6.65 | 11.12 | -36.33 | 2 | 2 | 1 | 16 | 299.567 | 14 | ↓ |
Hi High (pH 8-9.5) | 6.65 | 12.16 | -34.93 | 2 | 2 | 1 | 20 | 299.567 | 14 | ↓ |