In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 15 | Yes |
Popular Name: (1R)-N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (1R)-N-butyl-N-methyl-1-(1-methy…
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) | 0.54 | 2.17 | -49.8 | 3 | 4 | 1 | 49 | 211.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 4.36 | -125.18 | 4 | 4 | 2 | 50 | 212.341 | 6 | ↓ |