In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 14 | Yes |
Popular Name: 6-[(1S)-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one 6-[(1S)-1-(methylamino)ethyl]-3H…
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) | 1.27 | 2.54 | -52.06 | 3 | 4 | 1 | 63 | 193.226 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.73 | -0.08 | -75.09 | 2 | 4 | 0 | 66 | 192.218 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.73 | -1.26 | -45.49 | 1 | 4 | -1 | 61 | 191.21 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.27 | 1.36 | -7.36 | 2 | 4 | 0 | 58 | 192.218 | 2 | ↓ |