In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 20 | Yes |
Popular Name: (2R)-1-[1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]imidazol-2-yl]propan-2-amine (2R)-1-[1-[[1-(1-ethylpropyl)pyr…
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) | 1.51 | 6.86 | -44.5 | 3 | 5 | 1 | 63 | 276.408 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.51 | 6.85 | -9.15 | 2 | 5 | 0 | 62 | 275.4 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 7.2 | -103.95 | 4 | 5 | 2 | 65 | 277.416 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.