In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 18 | Yes |
Popular Name: N',N'-dimethyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butane-1,4-diamine N',N'-dimethyl-N-[(1S)-1-(1,3,5-…
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) | 1.45 | 7.42 | -99.17 | 3 | 4 | 2 | 39 | 254.422 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 6.86 | -38.23 | 2 | 4 | 1 | 34 | 253.414 | 7 | ↓ |