In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: 6-[(R)-methylamino(m-tolyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-methylamino(m-tolyl)methy…
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) | 2.91 | 6.2 | -54.79 | 3 | 4 | 1 | 63 | 269.324 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 2.62 | -47.93 | 1 | 4 | -1 | 61 | 267.308 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.37 | 3.57 | -73.98 | 2 | 4 | 0 | 66 | 268.316 | 3 | ↓ |