In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 18 | Yes |
Popular Name: 2-methyl-N-[[3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine 2-methyl-N-[[3-(5-methyl-2-furyl…
None
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) | 1.81 | 4.51 | -9.04 | 2 | 4 | 0 | 54 | 243.31 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 5.73 | -33.09 | 3 | 4 | 1 | 58 | 244.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.