In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: N'-isopropyl-N'-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butane-1,4-diamine N'-isopropyl-N'-methyl-N-[(1R)-1…
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) | 2.12 | 8.63 | -96.77 | 3 | 4 | 2 | 39 | 282.476 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 7.52 | -37.41 | 2 | 4 | 1 | 34 | 281.468 | 8 | ↓ |