In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 17 | Yes |
Popular Name: 6-[(1S)-1-amino-3,3,3-trifluoro-propyl]-3H-1,3-benzoxazol-2-one 6-[(1S)-1-amino-3,3,3-trifluoro-…
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) | -0.16 | 2.06 | -59.38 | 4 | 4 | 1 | 74 | 247.196 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.30 | -0.9 | -47.15 | 2 | 4 | -1 | 75 | 245.18 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.30 | -0.56 | -78.65 | 3 | 4 | 0 | 77 | 246.188 | 3 | ↓ |