In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 19 | Yes |
Popular Name: N-[4-(aminomethyl)-2,5-dimethyl-pyrazol-3-yl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[4-(aminomethyl)-2,5-dimethyl-…
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) | 1.10 | 6.4 | -104.72 | 4 | 5 | 2 | 53 | 269.437 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.10 | 6.15 | -42.28 | 3 | 5 | 1 | 52 | 268.429 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.10 | 4.12 | -45.54 | 3 | 5 | 1 | 52 | 268.429 | 7 | ↓ |