In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 26 | No |
Popular Name: 3-methyl-7-octyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione 3-methyl-7-octyl-8-(1-piperidiny…
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) | 3.84 | -2.65 | -6.81 | 1 | 7 | 0 | 75 | 361.49 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.84 | -2.41 | -34.2 | 2 | 7 | 1 | 77 | 362.498 | 8 | ↓ |