In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (2R,3S)-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]-N2-propyl-butane-2,3-diamine (2R,3S)-N3-methyl-N3-[(1-methylp…
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) | 1.44 | 4.89 | -41.63 | 2 | 4 | 1 | 38 | 239.387 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 6.56 | -111.78 | 3 | 4 | 2 | 39 | 240.395 | 7 | ↓ |