In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 17 | Yes |
Popular Name: (2R)-2-(5-chloro-2-thienyl)-2-(4-ethylpiperazin-1-yl)ethanamine (2R)-2-(5-chloro-2-thienyl)-2-(4…
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) | 1.70 | 4.2 | -101.34 | 4 | 3 | 2 | 35 | 275.849 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.70 | 1.79 | -2.7 | 2 | 3 | 0 | 32 | 273.833 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 1.93 | -47.46 | 3 | 3 | 1 | 34 | 274.841 | 4 | ↓ |