In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | Yes |
Popular Name: 4-[(1S)-1-[[(3R)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(3R)-6-hydroxy-2,3-d…
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) | 2.76 | 5.32 | -54.91 | 3 | 4 | 1 | 70 | 281.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 4.43 | -9.61 | 2 | 4 | 0 | 65 | 280.327 | 3 | ↓ |