In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 16 | Yes |
Popular Name: (1S)-1-(5-methyl-2-thienyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-(5-methyl-2-thienyl)-N-(2…
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) | 2.61 | 6.85 | -34.27 | 2 | 2 | 1 | 16 | 239.408 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 4.33 | -2.31 | 1 | 2 | 0 | 15 | 238.4 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 8.17 | -114.03 | 3 | 2 | 2 | 21 | 240.416 | 5 | ↓ |