In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 20 | No |
Popular Name: (2S)-1-[allyl-[[(5S)-3-phenyl-4,5-dihydroisoxazol-5-yl]methyl]amino]propan-2-ol (2S)-1-[allyl-[[(5S)-3-phenyl-4,…
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) | 2.33 | 6.29 | -39.83 | 2 | 4 | 1 | 46 | 275.372 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 4.12 | -9.94 | 1 | 4 | 0 | 45 | 274.364 | 7 | ↓ |