In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 28 | Yes |
Popular Name: [allyl-[(2S)-2-hydroxy-3-morpholino-propyl]amino]methylBLAHone [allyl-[(2S)-2-hydroxy-3-morphol…
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) | 1.19 | 4.75 | -53.69 | 3 | 7 | 1 | 83 | 405.544 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 1.91 | -50.02 | 2 | 7 | 0 | 86 | 404.536 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.19 | 7.06 | -121.39 | 4 | 7 | 2 | 84 | 406.552 | 8 | ↓ |