In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 19 | Yes |
Popular Name: 3-(4,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-5-yl)-N-ethyl-propan-1-amine 3-(4,6-dimethyl-2-pyrrolidin-1-y…
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) | 2.47 | 9.33 | -47.05 | 2 | 4 | 1 | 46 | 263.409 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.47 | 9.69 | -84.7 | 3 | 4 | 2 | 47 | 264.417 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.