In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 13 | Yes |
Popular Name: N-[(1R)-1-(1-ethylpyrazol-4-yl)ethyl]ethane-1,2-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) | -0.39 | 0.67 | -46.12 | 4 | 4 | 1 | 57 | 183.279 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.39 | 1.43 | -38.62 | 4 | 4 | 1 | 60 | 183.279 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.39 | 1.82 | -120.52 | 5 | 4 | 2 | 62 | 184.287 | 5 | ↓ |