In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 17 | Yes |
Popular Name: (1R)-1-cyclopropyl-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethyl-ethane-1,2-diamine (1R)-1-cyclopropyl-N'-(4-methoxy…
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) | 1.68 | 5.45 | -35.97 | 2 | 5 | 1 | 51 | 237.327 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 3.13 | -4.89 | 1 | 5 | 0 | 50 | 236.319 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 5.82 | -92.52 | 3 | 5 | 2 | 53 | 238.335 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.