In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: 3-[(1R)-2-amino-1-(5-chloro-2-thienyl)ethoxy]benzonitrile 3-[(1R)-2-amino-1-(5-chloro-2-th…
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) | 2.81 | 6.14 | -59.26 | 3 | 3 | 1 | 61 | 279.772 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 5.84 | -8.85 | 2 | 3 | 0 | 59 | 278.764 | 4 | ↓ |