In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-N2,2,5-trimethyl-N2-[(2-methyl-3-furyl)methyl]hexane-1,2-diamine (2S)-N2,2,5-trimethyl-N2-[(2-met…
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) | 2.07 | 5.02 | -45.92 | 3 | 3 | 1 | 44 | 253.41 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.07 | 6.95 | -122.89 | 4 | 3 | 2 | 45 | 254.418 | 7 | ↓ |