In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 14 | Yes |
Popular Name: N-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]propane-1,3-diamine N-[(1R)-1-(1-ethylpyrazol-4-yl)e…
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) | -0.12 | 1.42 | -45.47 | 4 | 4 | 1 | 57 | 197.306 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.12 | 2.58 | -110.1 | 5 | 4 | 2 | 62 | 198.314 | 6 | ↓ |