In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (2S,3R)-N2-ethyl-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]butane-2,3-diamine (2S,3R)-N2-ethyl-N3-methyl-N3-[(…
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) | 0.94 | 4.2 | -39.16 | 2 | 4 | 1 | 38 | 225.36 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 5.79 | -108.38 | 3 | 4 | 2 | 39 | 226.368 | 6 | ↓ |