| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | Yes |
Popular Name: 3-Isoxazolemethanamine, 5-methyl-N-(1-methyl-2-propynyl)- (9CI) 3-Isoxazolemethanamine, 5-methyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 804429-18-3
| 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) | 0.93 | 2.78 | -8.79 | 1 | 3 | 0 | 38 | 164.208 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 3.99 | -40.15 | 2 | 3 | 1 | 43 | 165.216 | 3 | ↓ |
