In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 15 | Yes |
Popular Name: (2S,3R)-N2,N3-dimethyl-N3-[(1-methylpyrazol-4-yl)methyl]butane-2,3-diamine (2S,3R)-N2,N3-dimethyl-N3-[(1-me…
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) | 0.56 | 3.1 | -40.47 | 2 | 4 | 1 | 38 | 211.333 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | 4.98 | -108.33 | 3 | 4 | 2 | 39 | 212.341 | 5 | ↓ |