In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 36 | Yes |
Popular Name: N2-(4-aminocyclohexyl)-N6-(1-benzyl-4-piperidyl)-9-cyclopentyl-purine-2,6-diamine N2-(4-aminocyclohexyl)-N6-(1-ben…
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) | 4.29 | 15.69 | -99.34 | 6 | 8 | 2 | 100 | 490.7 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.29 | 15.92 | -173.64 | 7 | 8 | 3 | 101 | 491.708 | 7 | ↓ |