In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 22 | No |
Popular Name: (2R)-1-[allyl-[[(5S)-3-(4-chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]amino]butan-2-ol (2R)-1-[allyl-[[(5S)-3-(4-chloro…
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) | 3.51 | 7.92 | -41.93 | 2 | 4 | 1 | 46 | 323.844 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 5.64 | -6.51 | 1 | 4 | 0 | 45 | 322.836 | 8 | ↓ |