In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1-propyl-N1-(2,2,2-trifluoroethyl)propane-1,2-diamine (1S,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) | 3.64 | 5.25 | -44.54 | 3 | 2 | 1 | 31 | 315.812 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 5.14 | -3.28 | 2 | 2 | 0 | 29 | 314.804 | 7 | ↓ |