In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 34 | Yes |
Popular Name: diamino-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(3-ethylphenyl)-oxo-BLAHcarbonitrile diamino-[(2R,6S)-2,6-dimethylmor…
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) | 3.19 | 9.84 | -17.85 | 4 | 9 | 0 | 134 | 457.538 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.19 | 9.99 | -48.65 | 5 | 9 | 1 | 136 | 458.546 | 3 | ↓ |