In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 16 | Yes |
Popular Name: 6-[(S)-amino(cyclobutyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-amino(cyclobutyl)methyl]-…
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) | -0.31 | 2.73 | -59.96 | 4 | 4 | 1 | 74 | 219.264 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.14 | 0.11 | -82.42 | 3 | 4 | 0 | 77 | 218.256 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.14 | -0.21 | -48.36 | 2 | 4 | -1 | 75 | 217.248 | 2 | ↓ |