In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-N1-propyl-N1-(2,2,2-trifluoroethyl)butane-1,2-diamine (1R,2R)-1-(5-chloro-2-thienyl)-N…
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) | 4.17 | 6.1 | -41.19 | 3 | 2 | 1 | 31 | 329.839 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.17 | 5.77 | -1.67 | 2 | 2 | 0 | 29 | 328.831 | 8 | ↓ |