In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2011 | 20 | Yes |
Popular Name: 2-(2,2-dimethylpropyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine 2-(2,2-dimethylpropyl)-N-propyl-…
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) | 4.76 | 10.02 | -24.14 | 2 | 3 | 1 | 39 | 276.448 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.76 | 9.46 | -4.82 | 1 | 3 | 0 | 38 | 275.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.